Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50038495   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50135482 (1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...) Show SMILES COc1cccc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:15| Show InChI InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377149 (CHEMBL257805) Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C21H20N6O2S2/c28-31(29,27-11-9-22-10-12-27)17-4-1-15(2-5-17)18-7-8-23-21(26-18)25-16-3-6-19-20(13-16)30-14-24-19/h1-8,13-14,22H,9-12H2,(H,23,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377141 (CHEMBL254556) Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1)C1CCCN1 |w:25.28| Show InChI InChI=1S/C22H20N6OS/c29-21(19-2-1-10-23-19)26-15-5-3-14(4-6-15)17-9-11-24-22(28-17)27-16-7-8-18-20(12-16)30-13-25-18/h3-9,11-13,19,23H,1-2,10H2,(H,26,29)(H,24,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50377141 (CHEMBL254556) Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1)C1CCCN1 |w:25.28| Show InChI InChI=1S/C22H20N6OS/c29-21(19-2-1-10-23-19)26-15-5-3-14(4-6-15)17-9-11-24-22(28-17)27-16-7-8-18-20(12-16)30-13-25-18/h3-9,11-13,19,23H,1-2,10H2,(H,26,29)(H,24,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377138 (CHEMBL402041) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1)c1ccc2nonc2c1 Show InChI InChI=1S/C23H15N7O3S2/c31-35(32,17-6-8-19-21(12-17)29-33-28-19)30-15-3-1-14(2-4-15)18-9-10-24-23(27-18)26-16-5-7-20-22(11-16)34-13-25-20/h1-13,30H,(H,24,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377133 (CHEMBL257402) Show SMILES O=S(=O)(N1CCSCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C21H19N5O2S3/c27-31(28,26-9-11-29-12-10-26)17-4-1-15(2-5-17)18-7-8-22-21(25-18)24-16-3-6-19-20(13-16)30-14-23-19/h1-8,13-14H,9-12H2,(H,22,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377140 (CHEMBL254793) Show SMILES NCCC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C20H18N6OS/c21-9-7-19(27)24-14-3-1-13(2-4-14)16-8-10-22-20(26-16)25-15-5-6-17-18(11-15)28-12-23-17/h1-6,8,10-12H,7,9,21H2,(H,24,27)(H,22,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377132 (CHEMBL257189) Show SMILES O=S(=O)(N1CCOCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C21H19N5O3S2/c27-31(28,26-9-11-29-12-10-26)17-4-1-15(2-5-17)18-7-8-22-21(25-18)24-16-3-6-19-20(13-16)30-14-23-19/h1-8,13-14H,9-12H2,(H,22,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377139 (CHEMBL403615) Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1)C1CCNCC1 Show InChI InChI=1S/C23H22N6OS/c30-22(16-7-10-24-11-8-16)27-17-3-1-15(2-4-17)19-9-12-25-23(29-19)28-18-5-6-20-21(13-18)31-14-26-20/h1-6,9,12-14,16,24H,7-8,10-11H2,(H,27,30)(H,25,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377131 (CHEMBL256524) Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C19H17N5O2S2/c1-24(2)28(25,26)15-6-3-13(4-7-15)16-9-10-20-19(23-16)22-14-5-8-17-18(11-14)27-12-21-17/h3-12H,1-2H3,(H,20,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377148 (CHEMBL402628) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C22H22N6S/c1-27-10-12-28(13-11-27)18-5-2-16(3-6-18)19-8-9-23-22(26-19)25-17-4-7-20-21(14-17)29-15-24-20/h2-9,14-15H,10-13H2,1H3,(H,23,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377147 (CHEMBL256148) Show SMILES O=S(=O)(c1ccccc1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C23H16N4O2S2/c28-31(29,18-4-2-1-3-5-18)19-9-6-16(7-10-19)20-12-13-24-23(27-20)26-17-8-11-21-22(14-17)30-15-25-21/h1-15H,(H,24,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377130 (CHEMBL256523) Show SMILES O=S(=O)(N1CCCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C21H19N5O2S2/c27-30(28,26-11-1-2-12-26)17-6-3-15(4-7-17)18-9-10-22-21(25-18)24-16-5-8-19-20(13-16)29-14-23-19/h3-10,13-14H,1-2,11-12H2,(H,22,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377129 (CHEMBL401919) Show SMILES O=S(=O)(N1CCCCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C22H21N5O2S2/c28-31(29,27-12-2-1-3-13-27)18-7-4-16(5-8-18)19-10-11-23-22(26-19)25-17-6-9-20-21(14-17)30-15-24-20/h4-11,14-15H,1-3,12-13H2,(H,23,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377146 (CHEMBL428424) Show SMILES N(c1ccc2ncsc2c1)c1nccc(n1)-c1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C20H14N6S/c1-4-16(26-10-9-21-12-26)5-2-14(1)17-7-8-22-20(25-17)24-15-3-6-18-19(11-15)27-13-23-18/h1-13H,(H,22,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50377140 (CHEMBL254793) Show SMILES NCCC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C20H18N6OS/c21-9-7-19(27)24-14-3-1-13(2-4-14)16-8-10-22-20(26-16)25-15-5-6-17-18(11-15)28-12-23-17/h1-6,8,10-12H,7,9,21H2,(H,24,27)(H,22,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	731	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50377149 (CHEMBL257805) Show SMILES O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C21H20N6O2S2/c28-31(29,27-11-9-22-10-12-27)17-4-1-15(2-5-17)18-7-8-23-21(26-18)25-16-3-6-19-20(13-16)30-14-24-19/h1-8,13-14,22H,9-12H2,(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377137 (CHEMBL256347) Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C23H16ClN5O2S2/c24-16-3-8-19(9-4-16)33(30,31)29-17-5-1-15(2-6-17)20-11-12-25-23(28-20)27-18-7-10-21-22(13-18)32-14-26-21/h1-14,29H,(H,25,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50135482 (1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...) Show SMILES COc1cccc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:15| Show InChI InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377136 (CHEMBL256940) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C24H19N5O2S2/c1-16-2-9-20(10-3-16)33(30,31)29-18-6-4-17(5-7-18)21-12-13-25-24(28-21)27-19-8-11-22-23(14-19)32-15-26-22/h2-15,29H,1H3,(H,25,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50377139 (CHEMBL403615) Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1)C1CCNCC1 Show InChI InChI=1S/C23H22N6OS/c30-22(16-7-10-24-11-8-16)27-17-3-1-15(2-4-17)19-9-12-25-23(29-19)28-18-5-6-20-21(13-18)31-14-26-20/h1-6,9,12-14,16,24H,7-8,10-11H2,(H,27,30)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377145 (CHEMBL255436) Show SMILES O=c1ccn(cc1)-c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C22H15N5OS/c28-18-8-11-27(12-9-18)17-4-1-15(2-5-17)19-7-10-23-22(26-19)25-16-3-6-20-21(13-16)29-14-24-20/h1-14H,(H,23,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50377148 (CHEMBL402628) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C22H22N6S/c1-27-10-12-28(13-11-27)18-5-2-16(3-6-18)19-8-9-23-22(26-19)25-17-4-7-20-21(14-17)29-15-24-20/h2-9,14-15H,10-13H2,1H3,(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50377137 (CHEMBL256347) Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C23H16ClN5O2S2/c24-16-3-8-19(9-4-16)33(30,31)29-17-5-1-15(2-6-17)20-11-12-25-23(28-20)27-18-7-10-21-22(13-18)32-14-26-21/h1-14,29H,(H,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377144 (CHEMBL402314) Show SMILES N(c1ccc2ncsc2c1)c1nccc(n1)-c1ccc(Oc2ncccn2)cc1 Show InChI InChI=1S/C21H14N6OS/c1-9-23-21(24-10-1)28-16-5-2-14(3-6-16)17-8-11-22-20(27-17)26-15-4-7-18-19(12-15)29-13-25-18/h1-13H,(H,22,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377143 (CHEMBL256285) Show SMILES CN(CCOc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1)c1ccccn1 Show InChI InChI=1S/C25H22N6OS/c1-31(24-4-2-3-12-26-24)14-15-32-20-8-5-18(6-9-20)21-11-13-27-25(30-21)29-19-7-10-22-23(16-19)33-17-28-22/h2-13,16-17H,14-15H2,1H3,(H,27,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50377138 (CHEMBL402041) Show SMILES O=S(=O)(Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1)c1ccc2nonc2c1 Show InChI InChI=1S/C23H15N7O3S2/c31-35(32,17-6-8-19-21(12-17)29-33-28-19)30-15-3-1-14(2-4-15)18-9-10-24-23(27-18)26-16-5-7-20-22(11-16)34-13-25-20/h1-13,30H,(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50377133 (CHEMBL257402) Show SMILES O=S(=O)(N1CCSCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C21H19N5O2S3/c27-31(28,26-9-11-29-12-10-26)17-4-1-15(2-5-17)18-7-8-22-21(25-18)24-16-3-6-19-20(13-16)30-14-23-19/h1-8,13-14H,9-12H2,(H,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377142 (CHEMBL440404) Show SMILES N(c1ccc2ncsc2c1)c1nccc(n1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H16N4OS/c1-2-4-18(5-3-1)28-19-9-6-16(7-10-19)20-12-13-24-23(27-20)26-17-8-11-21-22(14-17)29-15-25-21/h1-15H,(H,24,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50377132 (CHEMBL257189) Show SMILES O=S(=O)(N1CCOCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C21H19N5O3S2/c27-31(28,26-9-11-29-12-10-26)17-4-1-15(2-5-17)18-7-8-22-21(25-18)24-16-3-6-19-20(13-16)30-14-23-19/h1-8,13-14H,9-12H2,(H,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK1				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377134 (CHEMBL404688) Show SMILES Clc1cc(sc1Cl)S(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C21H13Cl2N5O2S3/c22-15-10-19(32-20(15)23)33(29,30)28-13-3-1-12(2-4-13)16-7-8-24-21(27-16)26-14-5-6-17-18(9-14)31-11-25-17/h1-11,28H,(H,24,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50377135 (CHEMBL257769) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1 Show InChI InChI=1S/C24H19N5O3S2/c1-32-19-7-9-20(10-8-19)34(30,31)29-17-4-2-16(3-5-17)21-12-13-25-24(28-21)27-18-6-11-22-23(14-18)33-15-26-22/h2-15,29H,1H3,(H,25,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Inhibition of IKK2				Bioorg Med Chem Lett 18: 3622-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.062 BindingDB Entry DOI: 10.7270/Q2P55PD3
					More data for this Ligand-Target Pair