IKK
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BX-795,PDK1抑制剂CAS号 : 702675-74-9 Compound CID : 10077147分子式: C23H26IN7O2S 分子量: 591.47IUPAC Name: N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamideSMILES: C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)IInChIKey: VAVXGGRQQJZYBL-UHFFFAOYSA-NInChI: InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
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BAY 11-7082,IκBα激酶抑制剂CAS号 : 19542-67-7 Compound CID : 5353431分子式: C10H9NO2S 分子量: 207.25IUPAC Name: (E)-3-(4-methylphenyl)sulfonylprop-2-enenitrileSMILES: CC1=CC=C(C=C1)S(=O)(=O)C=CC#NInChIKey: DOEWDSDBFRHVAP-KRXBUXKQSA-NInChI: InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2+
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IMD 0354,IKKβ抑制剂分子式: C15H8ClF6NO2 分子量: 383.67IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamideSMILES: C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OInChIKey: CHILCFMQWMQVAL-UHFFFAOYSA-NInChI: InChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)
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IKK-16(IKK抑制剂VII)CAS号 : 873225-46-8 Compound CID : 9549298分子式: C28H29N5OS 分子量: 483.63IUPAC Name: [4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanoneSMILES: C1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC6=CC=CC=C6S5InChIKey: BWZJBXAPRCVCKQ-UHFFFAOYSA-NInChI: InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31)
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松香酸分子式: C20H30O2 分子量: 302.45IUPAC Name: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acidSMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)CInChIKey: RSWGJHLUYNHPMX-ONCXSQPRSA-NInChI: InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
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2-氨基-5-苯基-噻吩-3-羧酸酰胺CAS号 : 4815-35-4分子式: C11H10N2OS 分子量: 218.3IUPAC Name: 2-amino-5-phenylthiophene-3-carboxamideSMILES: C1=CC=C(C=C1)C2=CC(=C(S2)N)C(=O)NInChIKey: UHEGYTDIDBFUJD-UHFFFAOYSA-NInChI: InChI=1S/C11H10N2OS/c12-10(14)8-6-9(15-11(8)13)7-4-2-1-3-5-7/h1-6H,13H2,(H2,12,14)
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孔雀绿草酸盐分子式: C23H25N2·C2HO4·0.5C2H2O4 分子量: 463.5IUPAC Name: [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;2-hydroxy-2-oxoacetate;oxalic acidSMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])OInChIKey: CNYGFPPAGUCRIC-UHFFFAOYSA-LInChI: InChI=1S/2C23H25N2.3C2H2O4/c2*1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;3*3-1(4)2(5)6/h2*5-17H,1-4H3;3*(H,3,4)(H,5,6)/q2*+1;;;/p-2
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CAY10575,IKK-ε抑制剂CAS号 : 916985-21-2 Compound CID : 25190912分子式: C22H21N3O6S2 分子量: 487.54IUPAC Name: 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methylsulfonylphenyl)methoxy]thiophene-2-carboxamideSMILES: COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=C(C=C4)S(=O)(=O)C)OCInChIKey: YYZTVTZCYVZGRB-UHFFFAOYSA-NInChI: InChI=1S/C22H21N3O6S2/c1-29-17-8-15-16(9-18(17)30-2)25(12-24-15)20-10-19(21(32-20)22(23)26)31-11-13-4-6-14(7-5-13)33(3,27)28/h4-10,12H,11H2,1-3H3,(H2,23,26)
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BMS 345541,IKK-2和IKK-1抑制剂CAS号 : 445430-58-0 Compound CID : 9813758分子式: C14H17N5 分子量: 255.32IUPAC Name: N'-(1,8-dimethylimidazo[1,2-a]quinoxalin-4-yl)ethane-1,2-diamineSMILES: CC1=CC2=C(C=C1)N=C(C3=NC=C(N23)C)NCCNInChIKey: PSPFQEBFYXJZEV-UHFFFAOYSA-NInChI: InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)
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IKK-16,IκB激酶抑制剂CAS号 : 1186195-62-9 Compound CID : 56972179分子式: C28H29N5OS • HCl 分子量: 520.09IUPAC Name: [4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochlorideSMILES: C1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC6=CC=CC=C6S5.ClInChIKey: XFVDIVQCZWDBCW-UHFFFAOYSA-NInChI: InChI=1S/C28H29N5OS.ClH/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26;/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31);1H
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NF-κB活化抑制剂VICAS号 : 113760-29-5 Compound CID : 13925917分子式: C15H15NO2S 分子量: 273.4IUPAC Name: 6,6-dimethyl-2-phenylimino-5,7-dihydro-1,3-benzoxathiol-4-oneSMILES: CC1(CC2=C(C(=O)C1)SC(=NC3=CC=CC=C3)O2)CInChIKey: XFSSJIQCIPSBHJ-UHFFFAOYSA-NInChI: InChI=1S/C15H15NO2S/c1-15(2)8-11(17)13-12(9-15)18-14(19-13)16-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3