Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'wang-iverson' and Initial = 'd'   

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
Prothrombin (Homo sapiens (Human))	BDBM50107460 ((S)-1-((R)-3-Phenyl-2-phenylmethanesulfonylamino-p...) Show SMILES ONC(=N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1 Show InChI InChI=1S/C28H38N6O5S/c29-28(31-37)33-16-13-22(14-17-33)19-30-26(35)25-12-7-15-34(25)27(36)24(18-21-8-3-1-4-9-21)32-40(38,39)20-23-10-5-2-6-11-23/h1-6,8-11,22,24-25,32,37H,7,12-20H2,(H2,29,31)(H,30,35)/t24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Competitive kinetic for thrombin inhibition Ki was determined				Bioorg Med Chem Lett 12: 45-9 (2001) BindingDB Entry DOI: 10.7270/Q2GX4C3P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50107463 ((S)-1-((R)-2-Methanesulfonylamino-3-phenyl-propion...) Show SMILES CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H34N6O4S/c1-33(31,32)26-18(14-16-6-3-2-4-7-16)21(30)28-11-5-8-19(28)20(29)25-15-17-9-12-27(13-10-17)22(23)24/h2-4,6-7,17-19,26H,5,8-15H2,1H3,(H3,23,24)(H,25,29)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Competitive kinetic for human alpha thrombin inhibition Ki was determined				Bioorg Med Chem Lett 12: 45-9 (2001) BindingDB Entry DOI: 10.7270/Q2GX4C3P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50107460 ((S)-1-((R)-3-Phenyl-2-phenylmethanesulfonylamino-p...) Show SMILES ONC(=N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1 Show InChI InChI=1S/C28H38N6O5S/c29-28(31-37)33-16-13-22(14-17-33)19-30-26(35)25-12-7-15-34(25)27(36)24(18-21-8-3-1-4-9-21)32-40(38,39)20-23-10-5-2-6-11-23/h1-6,8-11,22,24-25,32,37H,7,12-20H2,(H2,29,31)(H,30,35)/t24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against hydrolysis of thrombin was determined				Bioorg Med Chem Lett 12: 45-9 (2001) BindingDB Entry DOI: 10.7270/Q2GX4C3P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50107460 ((S)-1-((R)-3-Phenyl-2-phenylmethanesulfonylamino-p...) Show SMILES ONC(=N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1 Show InChI InChI=1S/C28H38N6O5S/c29-28(31-37)33-16-13-22(14-17-33)19-30-26(35)25-12-7-15-34(25)27(36)24(18-21-8-3-1-4-9-21)32-40(38,39)20-23-10-5-2-6-11-23/h1-6,8-11,22,24-25,32,37H,7,12-20H2,(H2,29,31)(H,30,35)/t24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against hydrolysis of human alpha thrombin				Bioorg Med Chem Lett 12: 45-9 (2001) BindingDB Entry DOI: 10.7270/Q2GX4C3P
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358596 (CHEMBL1923988) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)CCN(C)C)n1 Show InChI InChI=1S/C21H26N8O/c1-22-21-18-19(29(4)12-24-18)14-10-16(26-20(14)27-21)15-7-5-6-13(25-15)11-23-17(30)8-9-28(2)3/h5-7,10,12H,8-9,11H2,1-4H3,(H,23,30)(H2,22,26,27)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28569 (N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNS(C)(=O)=O)c1 Show InChI InChI=1S/C17H18N6O2S2/c1-18-15-12-14(23(2)9-19-12)13-17(22-15)26-16(21-13)11-6-4-5-10(7-11)8-20-27(3,24)25/h4-7,9,20H,8H2,1-3H3,(H,18,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358598 (CHEMBL1921823) Show SMILES CNC(=O)N(C)Cc1cccc(n1)-c1cc2c(nc(NC)c3ncn(C)c23)[nH]1 Show InChI InChI=1S/C19H22N8O/c1-20-18-15-16(27(4)10-22-15)12-8-14(24-17(12)25-18)13-7-5-6-11(23-13)9-26(3)19(28)21-2/h5-8,10H,9H2,1-4H3,(H,21,28)(H2,20,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28545 (N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatr...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccccc1 Show InChI InChI=1S/C15H13N5S/c1-16-13-10-12(20(2)8-17-10)11-15(19-13)21-14(18-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358591 (CHEMBL1923983) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)COC)n1 Show InChI InChI=1S/C19H21N7O2/c1-20-19-16-17(26(2)10-22-16)12-7-14(24-18(12)25-19)13-6-4-5-11(23-13)8-21-15(27)9-28-3/h4-7,10H,8-9H2,1-3H3,(H,21,27)(H2,20,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50107461 ((S)-1-((R)-3-Phenyl-2-phenylmethanesulfonylamino-p...) Show SMILES NC(=N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1 Show InChI InChI=1S/C28H38N6O4S/c29-28(30)33-16-13-22(14-17-33)19-31-26(35)25-12-7-15-34(25)27(36)24(18-21-8-3-1-4-9-21)32-39(37,38)20-23-10-5-2-6-11-23/h1-6,8-11,22,24-25,32H,7,12-20H2,(H3,29,30)(H,31,35)/t24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against hydrolysis of human alpha thrombin				Bioorg Med Chem Lett 12: 45-9 (2001) BindingDB Entry DOI: 10.7270/Q2GX4C3P
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28544 (N,12-dimethyl-4-phenyl-5-oxa-3,7,10,12-tetraazatri...) Show SMILES CNc1nc2oc(nc2c2n(C)cnc12)-c1ccccc1 Show InChI InChI=1S/C15H13N5O/c1-16-13-10-12(20(2)8-17-10)11-15(19-13)21-14(18-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358594 (CHEMBL1923986) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)C(C)(C)O)n1 Show InChI InChI=1S/C20H23N7O2/c1-20(2,29)19(28)22-9-11-6-5-7-13(24-11)14-8-12-16-15(23-10-27(16)4)18(21-3)26-17(12)25-14/h5-8,10,29H,9H2,1-4H3,(H,22,28)(H2,21,25,26)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358592 (CHEMBL1923984) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)CCOC)n1 Show InChI InChI=1S/C20H23N7O2/c1-21-20-17-18(27(2)11-23-17)13-9-15(25-19(13)26-20)14-6-4-5-12(24-14)10-22-16(28)7-8-29-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,22,28)(H2,21,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358593 (CHEMBL1923985) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)CO)n1 Show InChI InChI=1S/C18H19N7O2/c1-19-18-15-16(25(2)9-21-15)11-6-13(23-17(11)24-18)12-5-3-4-10(22-12)7-20-14(27)8-26/h3-6,9,26H,7-8H2,1-2H3,(H,20,27)(H2,19,23,24)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50294687 (3-methoxy-N-(3-(1-methyl-4-(methylamino)-1,6-dihyd...) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)CCOC)c1 Show InChI InChI=1S/C21H24N6O2/c1-22-21-18-19(27(2)12-24-18)15-10-16(25-20(15)26-21)14-6-4-5-13(9-14)11-23-17(28)7-8-29-3/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,23,28)(H2,22,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50334634 ((S)-N-(1-(3-(5-amino-8-methyl-8H-imidazo[4,5-d]thi...) Show SMILES C[C@H](NC(C)=O)c1cccc(c1)-c1nc2c(nc(N)c3ncn(C)c23)s1 |r| Show InChI InChI=1S/C18H18N6OS/c1-9(21-10(2)25)11-5-4-6-12(7-11)17-22-14-15-13(20-8-24(15)3)16(19)23-18(14)26-17/h4-9H,1-3H3,(H2,19,23)(H,21,25)/t9-/m0/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358583 (CHEMBL1923975) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CN(C)C(C)=O)n1 Show InChI InChI=1S/C19H21N7O/c1-11(27)25(3)9-12-6-5-7-14(22-12)15-8-13-17-16(21-10-26(17)4)19(20-2)24-18(13)23-15/h5-8,10H,9H2,1-4H3,(H2,20,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50294682 (CHEMBL552183 | N-(3-(1-methyl-4-(methylamino)-1,6-...) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(C)=O)c1 Show InChI InChI=1S/C19H20N6O/c1-11(26)21-9-12-5-4-6-13(7-12)15-8-14-17-16(22-10-25(17)3)19(20-2)24-18(14)23-15/h4-8,10H,9H2,1-3H3,(H,21,26)(H2,20,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28555 (N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tet...) Show SMILES CNC(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1 Show InChI InChI=1S/C11H12N6OS/c1-12-8-5-7(17(3)4-14-5)6-10(16-8)19-11(15-6)9(18)13-2/h4H,1-3H3,(H,12,16)(H,13,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28556 (N-ethyl-12-methyl-8-(methylamino)-5-thia-3,7,10,12...) Show SMILES CCNC(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1 Show InChI InChI=1S/C12H14N6OS/c1-4-14-10(19)12-16-7-8-6(15-5-18(8)3)9(13-2)17-11(7)20-12/h5H,4H2,1-3H3,(H,13,17)(H,14,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28559 (12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)C(=O)NCc1cccs1 Show InChI InChI=1S/C15H14N6OS2/c1-16-12-9-11(21(2)7-18-9)10-14(20-12)24-15(19-10)13(22)17-6-8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,16,20)(H,17,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358581 (CHEMBL1923973) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(n1)C(C)NC(C)=O Show InChI InChI=1S/C19H21N7O/c1-10(22-11(2)27)13-6-5-7-14(23-13)15-8-12-17-16(21-9-26(17)4)19(20-3)25-18(12)24-15/h5-10H,1-4H3,(H,22,27)(H2,20,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28571 (N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(=O)c2csnn2)c1 Show InChI InChI=1S/C19H16N8OS2/c1-20-16-13-15(27(2)9-22-13)14-19(24-16)30-18(23-14)11-5-3-4-10(6-11)7-21-17(28)12-8-29-26-25-12/h3-6,8-9H,7H2,1-2H3,(H,20,24)(H,21,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358581 (CHEMBL1923973) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(n1)C(C)NC(C)=O Show InChI InChI=1S/C19H21N7O/c1-10(22-11(2)27)13-6-5-7-14(23-13)15-8-12-17-16(21-9-26(17)4)19(20-3)25-18(12)24-15/h5-10H,1-4H3,(H,22,27)(H2,20,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16-,17+,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against hydrolysis of human alpha thrombin				Bioorg Med Chem Lett 12: 45-9 (2001) BindingDB Entry DOI: 10.7270/Q2GX4C3P
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50334633 ((S)-N-(1-(3-(5-(ethylamino)-8-methyl-8H-imidazo[4,...) Show SMILES CCNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(c1)[C@H](C)NC(C)=O |r| Show InChI InChI=1S/C20H22N6OS/c1-5-21-18-15-17(26(4)10-22-15)16-20(25-18)28-19(24-16)14-8-6-7-13(9-14)11(2)23-12(3)27/h6-11H,5H2,1-4H3,(H,21,25)(H,23,27)/t11-/m0/s1	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358597 (CHEMBL1923989) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CN(C)C(=O)COC)n1 Show InChI InChI=1S/C20H23N7O2/c1-21-20-17-18(27(3)11-22-17)13-8-15(24-19(13)25-20)14-7-5-6-12(23-14)9-26(2)16(28)10-29-4/h5-8,11H,9-10H2,1-4H3,(H2,21,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358604 (CHEMBL1923972) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(C)=O)n1 Show InChI InChI=1S/C18H19N7O/c1-10(26)20-8-11-5-4-6-13(22-11)14-7-12-16-15(21-9-25(16)3)18(19-2)24-17(12)23-14/h4-7,9H,8H2,1-3H3,(H,20,26)(H2,19,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358600 (CHEMBL1923991) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(NCCOC)n1 Show InChI InChI=1S/C18H21N7O/c1-19-18-15-16(25(2)10-21-15)11-9-13(23-17(11)24-18)12-5-4-6-14(22-12)20-7-8-26-3/h4-6,9-10H,7-8H2,1-3H3,(H,20,22)(H2,19,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28568 (N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(C)=O)c1 Show InChI InChI=1S/C18H18N6OS/c1-10(25)20-8-11-5-4-6-12(7-11)17-22-14-15-13(21-9-24(15)3)16(19-2)23-18(14)26-17/h4-7,9H,8H2,1-3H3,(H,19,23)(H,20,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358589 (CHEMBL1923981) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)c2cnccn2)n1 Show InChI InChI=1S/C21H19N9O/c1-22-20-17-18(30(2)11-26-17)13-8-15(28-19(13)29-20)14-5-3-4-12(27-14)9-25-21(31)16-10-23-6-7-24-16/h3-8,10-11H,9H2,1-2H3,(H,25,31)(H2,22,28,29)	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28570 (N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(=O)c2ccno2)c1 Show InChI InChI=1S/C20H17N7O2S/c1-21-17-14-16(27(2)10-23-14)15-20(26-17)30-19(25-15)12-5-3-4-11(8-12)9-22-18(28)13-6-7-24-29-13/h3-8,10H,9H2,1-2H3,(H,21,26)(H,22,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28560 (4-(4-fluorophenyl)-N,12-dimethyl-5-thia-3,7,10,12-...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1 Show InChI InChI=1S/C15H12FN5S/c1-17-13-10-12(21(2)7-18-10)11-15(20-13)22-14(19-11)8-3-5-9(16)6-4-8/h3-7H,1-2H3,(H,17,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358588 (CHEMBL1923980) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)CC(C)C)n1 Show InChI InChI=1S/C21H25N7O/c1-12(2)8-17(29)23-10-13-6-5-7-15(25-13)16-9-14-19-18(24-11-28(19)4)21(22-3)27-20(14)26-16/h5-7,9,11-12H,8,10H2,1-4H3,(H,23,29)(H2,22,26,27)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28547 (N,12-dimethyl-4-(methylsulfanyl)-5-thia-3,7,10,12-...) Show SMILES CNc1nc2sc(SC)nc2c2n(C)cnc12 Show InChI InChI=1S/C10H11N5S2/c1-11-8-5-7(15(2)4-12-5)6-9(14-8)17-10(13-6)16-3/h4H,1-3H3,(H,11,14)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358590 (CHEMBL1923982) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)c2csnn2)n1 Show InChI InChI=1S/C19H17N9OS/c1-20-18-15-16(28(2)9-22-15)11-6-13(24-17(11)25-18)12-5-3-4-10(23-12)7-21-19(29)14-8-30-27-26-14/h3-6,8-9H,7H2,1-2H3,(H,21,29)(H2,20,24,25)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28567 (N-({2-fluoro-5-[12-methyl-8-(methylamino)-5-thia-3...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)c(CNS(C)(=O)=O)c1 Show InChI InChI=1S/C17H17FN6O2S2/c1-19-15-12-14(24(2)8-20-12)13-17(23-15)27-16(22-13)9-4-5-11(18)10(6-9)7-21-28(3,25)26/h4-6,8,21H,7H2,1-3H3,(H,19,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28552 (N,12-dimethyl-4-(1,2,3,6-tetrahydropyridin-1-yl)-5...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)N1CCC=CC1 |c:21| Show InChI InChI=1S/C14H16N6S/c1-15-12-9-11(19(2)8-16-9)10-13(18-12)21-14(17-10)20-6-4-3-5-7-20/h3-4,8H,5-7H2,1-2H3,(H,15,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358586 (CHEMBL1923978) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)C2CC2)n1 Show InChI InChI=1S/C20H21N7O/c1-21-19-16-17(27(2)10-23-16)13-8-15(25-18(13)26-19)14-5-3-4-12(24-14)9-22-20(28)11-6-7-11/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,22,28)(H2,21,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28563 (N-(2-{[4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,...) Show SMILES CC(=O)NCCNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN6OS/c1-10(26)20-7-8-21-16-13-15(25(2)9-22-13)14-18(24-16)27-17(23-14)11-3-5-12(19)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,20,26)(H,21,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28543 (N,3-dimethyl-11-phenyl-1,3,5,8,12-pentaazatricyclo...) Show SMILES CNc1nc2cc(nn2c2n(C)cnc12)-c1ccccc1 Show InChI InChI=1S/C15H14N6/c1-16-14-13-15(20(2)9-17-13)21-12(18-14)8-11(19-21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50038001 ((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...) Show SMILES C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12 Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against hydrolysis of human alpha thrombin				Bioorg Med Chem Lett 12: 45-9 (2001) BindingDB Entry DOI: 10.7270/Q2GX4C3P
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28561 (N-ethyl-4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10...) Show SMILES CCNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1 Show InChI InChI=1S/C16H14FN5S/c1-3-18-14-11-13(22(2)8-19-11)12-16(21-14)23-15(20-12)9-4-6-10(17)7-5-9/h4-8H,3H2,1-2H3,(H,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358587 (CHEMBL1923979) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)C2(C)CC2)n1 Show InChI InChI=1S/C21H23N7O/c1-21(7-8-21)20(29)23-10-12-5-4-6-14(25-12)15-9-13-17-16(24-11-28(17)3)19(22-2)27-18(13)26-15/h4-6,9,11H,7-8,10H2,1-3H3,(H,23,29)(H2,22,26,27)	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	41	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358584 (CHEMBL1923976) Show SMILES CCC(=O)NCc1cccc(n1)-c1cc2c(nc(NC)c3ncn(C)c23)[nH]1 Show InChI InChI=1S/C19H21N7O/c1-4-15(27)21-9-11-6-5-7-13(23-11)14-8-12-17-16(22-10-26(17)3)19(20-2)25-18(12)24-14/h5-8,10H,4,9H2,1-3H3,(H,21,27)(H2,20,24,25)	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	44	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50107463 ((S)-1-((R)-2-Methanesulfonylamino-3-phenyl-propion...) Show SMILES CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H34N6O4S/c1-33(31,32)26-18(14-16-6-3-2-4-7-16)21(30)28-11-5-8-19(28)20(29)25-15-17-9-12-27(13-10-17)22(23)24/h2-4,6-7,17-19,26H,5,8-15H2,1H3,(H3,23,24)(H,25,29)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against hydrolysis of human alpha thrombin				Bioorg Med Chem Lett 12: 45-9 (2001) BindingDB Entry DOI: 10.7270/Q2GX4C3P
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28566 (N-({2-fluoro-5-[12-methyl-8-(methylamino)-5-thia-3...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)c(CNC(C)=O)c1 Show InChI InChI=1S/C18H17FN6OS/c1-9(26)21-7-11-6-10(4-5-12(11)19)17-23-14-15-13(22-8-25(15)3)16(20-2)24-18(14)27-17/h4-6,8H,7H2,1-3H3,(H,20,24)(H,21,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28565 (4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)...) Show SMILES Cn1cnc2c(NCCN3CCCCC3)nc3sc(nc3c12)-c1ccc(F)cc1 Show InChI InChI=1S/C21H23FN6S/c1-27-13-24-16-18(27)17-21(29-20(25-17)14-5-7-15(22)8-6-14)26-19(16)23-9-12-28-10-3-2-4-11-28/h5-8,13H,2-4,9-12H2,1H3,(H,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358585 (CHEMBL1923977) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)C(C)(C)C)n1 Show InChI InChI=1S/C21H25N7O/c1-21(2,3)20(29)23-10-12-7-6-8-14(25-12)15-9-13-17-16(24-11-28(17)5)19(22-4)27-18(13)26-15/h6-9,11H,10H2,1-5H3,(H,23,29)(H2,22,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation				Bioorg Med Chem Lett 21: 7006-12 (2011) Article DOI: 10.1016/j.bmcl.2011.09.111 BindingDB Entry DOI: 10.7270/Q2Z038KC
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50107473 ((S)-1-((R)-2-Methanesulfonylamino-3-phenyl-propion...) Show SMILES CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(CC1)C(=N)NO Show InChI InChI=1S/C22H34N6O5S/c1-34(32,33)26-18(14-16-6-3-2-4-7-16)21(30)28-11-5-8-19(28)20(29)24-15-17-9-12-27(13-10-17)22(23)25-31/h2-4,6-7,17-19,26,31H,5,8-15H2,1H3,(H2,23,25)(H,24,29)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against hydrolysis of human alpha thrombin				Bioorg Med Chem Lett 12: 45-9 (2001) BindingDB Entry DOI: 10.7270/Q2GX4C3P
					More data for this Ligand-Target Pair

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