IKK
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GSK319347ACAS号 : 862812-98-4 Compound CID : 11626927分子式: C22H19N3O5S2 分子量: 469.53IUPAC Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophene-2-carbonitrileSMILES: COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C#N)OCC4=CC=CC=C4S(=O)(=O)C)OCInChIKey: LDTAHRLHGHFHKP-UHFFFAOYSA-NInChI: InChI=1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3
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PF 184,IKKβ抑制剂CAS号 : 1187460-81-6 Compound CID : 57519531分子式: C32H32ClFN6O4 分子量: 619.09IUPAC Name: 8-[[2-[(3S,4R)-3,4-bis(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-5-chloropyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamideSMILES: CC1(CN(CC1(C)CO)C2=NC=C(C(=C2)C(=O)NC3=CC4=C(CCC5=C4N(N=C5C(=O)N)C6=CC=C(C=C6)F)C=C3)Cl)COInChIKey: JUOWWGNRWRLBSV-MEKGRNQZSA-NInChI: InChI=1S/C32H32ClFN6O4/c1-31(16-41)14-39(15-32(31,2)17-42)26-12-24(25(33)13-36-26)30(44)37-20-7-3-18-4-10-22-27(29(35)43)38-40(28(22)23(18)11-20)21-8-5-19(34)6-9-21/h3,5-9,11-13,41-42H,4,10,14-17H2,1-2H3,(H2,35,43)(H,37,44)/t31-,32+
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ML 120B 二盐酸盐CAS号 : 1782573-78-7 Compound CID : 90488985分子式: C19H15ClN4O2•2HCl 分子量: 439.72IUPAC Name: N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide;dihydrochlorideSMILES: CC1=C(C=CC=N1)C(=O)NC2=C3C(=CC(=C2OC)Cl)C4=C(N3)C=NC=C4.Cl.ClInChIKey: AWKOVWFBTRXQLW-UHFFFAOYSA-NInChI: InChI=1S/C19H15ClN4O2.2ClH/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16;;/h3-9,23H,1-2H3,(H,24,25);2*1H
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4-(3-苄基-4-((5-(2-氟苯基)呋喃-2-基)亚甲基)-5-氧代-4,5-二氢-1H-吡唑-1-基)苯甲酸CAS号 : 916232-21-8 Compound CID : 121513876分子式: C28H19FN2O4 分子量: 466.46IUPAC Name: 4-[(4E)-3-benzyl-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-5-oxopyrazol-1-yl]benzoic acidSMILES: C1=CC=C(C=C1)CC2=NN(C(=O)C2=CC3=CC=C(O3)C4=CC=CC=C4F)C5=CC=C(C=C5)C(=O)OInChIKey: IZPMWFSVTDOCDI-HAVVHWLPSA-NInChI: InChI=1S/C28H19FN2O4/c29-24-9-5-4-8-22(24)26-15-14-21(35-26)17-23-25(16-18-6-2-1-3-7-18)30-31(27(23)32)20-12-10-19(11-13-20)28(33)34/h1-15,17H,16H2,(H,33,34)/b23-17+
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BI 605906,IKKβ抑制剂CAS号 : 960293-88-3 Compound CID : 23652660分子式: C17H22F2N4O3S2 分子量: 432.51IUPAC Name: 3-amino-4-(1,1-difluoropropyl)-6-(4-methylsulfonylpiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamideSMILES: CCC(C1=CC(=NC2=C1C(=C(S2)C(=O)N)N)N3CCC(CC3)S(=O)(=O)C)(F)FInChIKey: IYHHRZBKXXKDDY-UHFFFAOYSA-NInChI: InChI=1S/C17H22F2N4O3S2/c1-3-17(18,19)10-8-11(23-6-4-9(5-7-23)28(2,25)26)22-16-12(10)13(20)14(27-16)15(21)24/h8-9H,3-7,20H2,1-2H3,(H2,21,24)
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ACHP,IKKα和IKKβ抑制剂CAS号 : 406208-42-2 Compound CID : 135465539分子式: C21H24N4O2 分子量: 364.44IUPAC Name: 2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrileSMILES: C1CC1COC2=CC=CC(=C2C3=NC(=C(C(=C3)C4CCNCC4)C#N)N)OInChIKey: DYVFBWXIOCLHPP-UHFFFAOYSA-NInChI: InChI=1S/C21H24N4O2/c22-11-16-15(14-6-8-24-9-7-14)10-17(25-21(16)23)20-18(26)2-1-3-19(20)27-12-13-4-5-13/h1-3,10,13-14,24,26H,4-9,12H2,(H2,23,25)
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PS-1145CAS号 : 431898-65-6 Compound CID : 9949093分子式: C17H11ClN4O 分子量: 322.8IUPAC Name: N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-3-carboxamideSMILES: C1=CC(=CN=C1)C(=O)NC2=CC(=CC3=C2NC4=C3C=CN=C4)ClInChIKey: JZRMBDHPALEPDM-UHFFFAOYSA-NInChI: InChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)
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PS-1145二盐酸盐CAS号 : 1049743-58-9分子式: C17H11ClN4O.2HCl 分子量: 395.67IUPAC Name: N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-3-carboxamide;dihydrochlorideSMILES: C1=CC(=CN=C1)C(=O)NC2=CC(=CC3=C2NC4=C3C=CN=C4)Cl.Cl.ClInChIKey: QTDCBADLGJZBHP-UHFFFAOYSA-NInChI: InChI=1S/C17H11ClN4O.2ClH/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10;;/h1-9,21H,(H,22,23);2*1H
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INH14CAS号 : 200134-22-1 Compound CID : 295048分子式: C15H16N2O 分子量: 240.3IUPAC Name: 1-(4-ethylphenyl)-3-phenylureaSMILES: CCC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2InChIKey: CPCZNJSFVOOZOG-UHFFFAOYSA-NInChI: InChI=1S/C15H16N2O/c1-2-12-8-10-14(11-9-12)17-15(18)16-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,16,17,18)
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LY2409881 trihydrochlorideCAS号 : 946518-60-1 Compound CID : 68856073分子式: C24H32Cl4N6OS 分子量: 594.43IUPAC Name: 2-[5-chloro-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-N-cyclopropyl-1-benzothiophene-4-carboxamide;trihydrochlorideSMILES: CN1CCN(CC1)CCCNC2=NC=C(C(=N2)C3=CC4=C(C=CC=C4S3)C(=O)NC5CC5)Cl.Cl.Cl.ClInChIKey: IEXCRLAGBWKVPW-UHFFFAOYSA-NInChI: InChI=1S/C24H29ClN6OS.3ClH/c1-30-10-12-31(13-11-30)9-3-8-26-24-27-15-19(25)22(29-24)21-14-18-17(4-2-5-20(18)33-21)23(32)28-16-6-7-16;;;/h2,4-5,14-16H,3,6-13H2,1H3,(H,28,32)(H,26,27,29);3*1H
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AZD3264CAS号 : 1609281-86-8 Compound CID : 91666658分子式: C21H23N5O4S 分子量: 441.5IUPAC Name: 2-(carbamoylamino)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]oxyphenyl]thiophene-3-carboxamideSMILES: CC1=C(C(=NO1)C)C2=CC(=C(C=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N)OC4CCNC4InChIKey: NMFIXEFNQPDISY-ZDUSSCGKSA-NInChI: InChI=1S/C21H23N5O4S/c1-10-18(11(2)30-26-10)12-3-4-14(16(7-12)29-13-5-6-24-9-13)17-8-15(19(22)27)20(31-17)25-21(23)28/h3-4,7-8,13,24H,5-6,9H2,1-2H3,(H2,22,27)(H3,23,25,28)/t13-/m0/s1
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