Compile Data Set for Download or QSAR

Found 184 hits with Last Name = 'beaulieu' and Initial = 'f'   

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
Integrase (Human immunodeficiency virus 1)	BDBM50042022 (CHEMBL3360128) Show SMILES COCCN1CCN(C1=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C23H28FN5O6/c1-27-20(15-5-9-35-13-15)26-18(19(30)22(27)32)21(31)25-12-14-3-4-16(24)11-17(14)29-7-6-28(23(29)33)8-10-34-2/h3-4,11,15,30H,5-10,12-13H2,1-2H3,(H,25,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042005 (CHEMBL3360113) Show SMILES CSC1COCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C18H20FN3O4S/c1-22-16(12-8-26-9-13(12)27-2)21-14(15(23)18(22)25)17(24)20-7-10-3-5-11(19)6-4-10/h3-6,12-13,23H,7-9H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25960 (amino-N-({3-[12-methyl-8-(methylamino)-3-thia-1,7,...) Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CNS(N)(=O)=O)c1 Show InChI InChI=1S/C17H18N6O2S2/c1-10-8-20-16-15(19-2)22-13-7-14(26-17(13)23(10)16)12-5-3-4-11(6-12)9-21-27(18,24)25/h3-8,21H,9H2,1-2H3,(H,19,22)(H2,18,24,25)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042014 (CHEMBL3360121) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2-n2cncn2)c(O)c1=O)C1CCOC1 Show InChI InChI=1S/C19H19FN6O4/c1-25-17(12-4-5-30-8-12)24-15(16(27)19(25)29)18(28)22-7-11-2-3-13(20)6-14(11)26-10-21-9-23-26/h2-3,6,9-10,12,27H,4-5,7-8H2,1H3,(H,22,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042007 (CHEMBL3360111) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1CCOC1 Show InChI InChI=1S/C17H18FN3O4/c1-21-15(11-6-7-25-9-11)20-13(14(22)17(21)24)16(23)19-8-10-2-4-12(18)5-3-10/h2-5,11,22H,6-9H2,1H3,(H,19,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042032 (CHEMBL3360116) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1CCOCC1 Show InChI InChI=1S/C18H20FN3O4/c1-22-16(12-6-8-26-9-7-12)21-14(15(23)18(22)25)17(24)20-10-11-2-4-13(19)5-3-11/h2-5,12,23H,6-10H2,1H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD 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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042003 (CHEMBL3360115) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1(C)CCCS1 Show InChI InChI=1S/C18H20FN3O3S/c1-18(8-3-9-26-18)17-21-13(14(23)16(25)22(17)2)15(24)20-10-11-4-6-12(19)7-5-11/h4-7,23H,3,8-10H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042004 (CHEMBL3360114) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1(C)CCCO1 Show InChI InChI=1S/C18H20FN3O4/c1-18(8-3-9-26-18)17-21-13(14(23)16(25)22(17)2)15(24)20-10-11-4-6-12(19)7-5-11/h4-7,23H,3,8-10H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD 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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042006 (CHEMBL3360112) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1COCC1O Show InChI InChI=1S/C17H18FN3O5/c1-21-15(11-7-26-8-12(11)22)20-13(14(23)17(21)25)16(24)19-6-9-2-4-10(18)5-3-9/h2-5,11-12,22-23H,6-8H2,1H3,(H,19,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042031 (CHEMBL3360137) Show SMILES CN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOCC3)n(C)c(=O)c2O)S1(=O)=O Show InChI InChI=1S/C23H30FN5O6S/c1-23(2)13-29(36(33,34)28(23)4)17-11-16(24)6-5-15(17)12-25-21(31)18-19(30)22(32)27(3)20(26-18)14-7-9-35-10-8-14/h5-6,11,14,30H,7-10,12-13H2,1-4H3,(H,25,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042021 (CHEMBL3360127) Show SMILES CN1CCN(C1=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C21H24FN5O5/c1-25-6-7-27(21(25)31)15-9-14(22)4-3-12(15)10-23-19(29)16-17(28)20(30)26(2)18(24-16)13-5-8-32-11-13/h3-4,9,13,28H,5-8,10-11H2,1-2H3,(H,23,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042017 (CHEMBL3360124) Show SMILES Cn1ncnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C20H21FN6O4/c1-26-17(12-5-6-31-9-12)25-15(16(28)20(26)30)19(29)22-8-11-3-4-13(21)7-14(11)18-23-10-24-27(18)2/h3-4,7,10,12,28H,5-6,8-9H2,1-2H3,(H,22,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042026 (CHEMBL3360132) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2-n2cncn2)c(O)c1=O)C1CCOCC1 Show InChI InChI=1S/C20H21FN6O4/c1-26-18(12-4-6-31-7-5-12)25-16(17(28)20(26)30)19(29)23-9-13-2-3-14(21)8-15(13)27-11-22-10-24-27/h2-3,8,10-12,28H,4-7,9H2,1H3,(H,23,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25965 (amino-N-(2-{3-[12-methyl-8-(methylamino)-3-thia-1,...) Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNS(N)(=O)=O)c1 Show InChI InChI=1S/C18H20N6O2S2/c1-11-10-21-17-16(20-2)23-14-9-15(27-18(14)24(11)17)13-5-3-4-12(8-13)6-7-22-28(19,25)26/h3-5,8-10,22H,6-7H2,1-2H3,(H,20,23)(H2,19,25,26)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042023 (CHEMBL3360129) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c1=O)C1CCOCC1 Show InChI InChI=1S/C19H22FN3O6S/c1-23-17(11-5-7-29-8-6-11)22-15(16(24)19(23)26)18(25)21-10-12-3-4-13(20)9-14(12)30(2,27)28/h3-4,9,11,24H,5-8,10H2,1-2H3,(H,21,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25970 (2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-tria...) Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CC(N)=O)c1 Show InChI InChI=1S/C18H17N5OS/c1-10-9-21-17-16(20-2)22-13-8-14(25-18(13)23(10)17)12-5-3-4-11(6-12)7-15(19)24/h3-6,8-9H,7H2,1-2H3,(H2,19,24)(H,20,22)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042027 (CHEMBL3360133) Show SMILES Cc1ncnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O Show InChI InChI=1S/C21H23FN6O4/c1-12-24-11-25-28(12)16-9-15(22)4-3-14(16)10-23-20(30)17-18(29)21(31)27(2)19(26-17)13-5-7-32-8-6-13/h3-4,9,11,13,29H,5-8,10H2,1-2H3,(H,23,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25942 ((3-{8-[(2-aminoethyl)amino]-12-methyl-3-thia-1,7,1...) Show SMILES Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1cccc(CO)c1 Show InChI InChI=1S/C18H19N5OS/c1-11-9-21-17-16(20-6-5-19)22-14-8-15(25-18(14)23(11)17)13-4-2-3-12(7-13)10-24/h2-4,7-9,24H,5-6,10,19H2,1H3,(H,20,22)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25957 (4-[3-(aminomethyl)phenyl]-N,12-dimethyl-3-thia-1,7...) Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CN)c1 Show InChI InChI=1S/C17H17N5S/c1-10-9-20-16-15(19-2)21-13-7-14(23-17(13)22(10)16)12-5-3-4-11(6-12)8-18/h3-7,9H,8,18H2,1-2H3,(H,19,21)	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	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042013 (CHEMBL3360120) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCCCS2(=O)=O)c(O)c1=O)C1CCOC1 Show InChI InChI=1S/C21H25FN4O6S/c1-25-19(14-6-8-32-12-14)24-17(18(27)21(25)29)20(28)23-11-13-4-5-15(22)10-16(13)26-7-2-3-9-33(26,30)31/h4-5,10,14,27H,2-3,6-9,11-12H2,1H3,(H,23,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid 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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25971 (3-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-tria...) Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCC(O)=O)c1 Show InChI InChI=1S/C19H18N4O2S/c1-11-10-21-18-17(20-2)22-14-9-15(26-19(14)23(11)18)13-5-3-4-12(8-13)6-7-16(24)25/h3-5,8-10H,6-7H2,1-2H3,(H,20,22)(H,24,25)	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	<9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042029 (CHEMBL3360135) Show SMILES Cn1ncnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O Show InChI InChI=1S/C21H23FN6O4/c1-27-18(12-5-7-32-8-6-12)26-16(17(29)21(27)31)20(30)23-10-13-3-4-14(22)9-15(13)19-24-11-25-28(19)2/h3-4,9,11-12,29H,5-8,10H2,1-2H3,(H,23,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid 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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042011 (CHEMBL3360118) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c1=O)C1CCOC1 Show InChI InChI=1S/C18H20FN3O6S/c1-22-16(11-5-6-28-9-11)21-14(15(23)18(22)25)17(24)20-8-10-3-4-12(19)7-13(10)29(2,26)27/h3-4,7,11,23H,5-6,8-9H2,1-2H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid 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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042020 (CHEMBL3360126) Show SMILES CN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOC3)n(C)c(=O)c2O)S1(=O)=O Show InChI InChI=1S/C22H28FN5O6S/c1-22(2)12-28(35(32,33)27(22)4)16-9-15(23)6-5-13(16)10-24-20(30)17-18(29)21(31)26(3)19(25-17)14-7-8-34-11-14/h5-6,9,14,29H,7-8,10-12H2,1-4H3,(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25934 (N-(2-aminoethyl)-12-methyl-4-(1H-pyrazol-4-yl)-3-t...) Show SMILES Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1cn[nH]c1 Show InChI InChI=1S/C14H15N7S/c1-8-5-17-13-12(16-3-2-15)20-10-4-11(9-6-18-19-7-9)22-14(10)21(8)13/h4-7H,2-3,15H2,1H3,(H,16,20)(H,18,19)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042012 (CHEMBL3360119) Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C19H23FN4O6S/c1-23(2)31(28,29)14-8-13(20)5-4-11(14)9-21-18(26)15-16(25)19(27)24(3)17(22-15)12-6-7-30-10-12/h4-5,8,12,25H,6-7,9-10H2,1-3H3,(H,21,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042016 (CHEMBL3360123) Show SMILES Cc1cnnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C20H21FN6O4/c1-11-8-23-25-27(11)15-7-14(21)4-3-12(15)9-22-19(29)16-17(28)20(30)26(2)18(24-16)13-5-6-31-10-13/h3-4,7-8,13,28H,5-6,9-10H2,1-2H3,(H,22,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042010 (CHEMBL3360117) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1CCCCO1 Show InChI InChI=1S/C18H20FN3O4/c1-22-16(13-4-2-3-9-26-13)21-14(15(23)18(22)25)17(24)20-10-11-5-7-12(19)8-6-11/h5-8,13,23H,2-4,9-10H2,1H3,(H,20,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042025 (CHEMBL3360131) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCCCS2(=O)=O)c(O)c1=O)C1CCOCC1 Show InChI InChI=1S/C22H27FN4O6S/c1-26-20(14-6-9-33-10-7-14)25-18(19(28)22(26)30)21(29)24-13-15-4-5-16(23)12-17(15)27-8-2-3-11-34(27,31)32/h4-5,12,14,28H,2-3,6-11,13H2,1H3,(H,24,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25924 (N,12-dimethyl-14,15,17-triazatetracyclo[8.7.0.0^{3...) Show SMILES CNc1nc2cc3ccccc3cc2c2c(C)cnn12 Show InChI InChI=1S/C16H14N4/c1-10-9-18-20-15(10)13-7-11-5-3-4-6-12(11)8-14(13)19-16(20)17-2/h3-9H,1-2H3,(H,17,19)	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	11	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 1233-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.017 BindingDB Entry DOI: 10.7270/Q2V40SJF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042024 (CHEMBL3360130) Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O Show InChI InChI=1S/C20H25FN4O6S/c1-24(2)32(29,30)15-10-14(21)5-4-13(15)11-22-19(27)16-17(26)20(28)25(3)18(23-16)12-6-8-31-9-7-12/h4-5,10,12,26H,6-9,11H2,1-3H3,(H,22,27)	PDB UniProtKB/TrEMBL B.MOAD 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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042015 (CHEMBL3360122) Show SMILES Cc1ncnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C20H21FN6O4/c1-11-23-10-24-27(11)15-7-14(21)4-3-12(15)8-22-19(29)16-17(28)20(30)26(2)18(25-16)13-5-6-31-9-13/h3-4,7,10,13,28H,5-6,8-9H2,1-2H3,(H,22,29)	PDB UniProtKB/TrEMBL B.MOAD 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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042028 (CHEMBL3360134) Show SMILES Cc1cnnn1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O Show InChI InChI=1S/C21H23FN6O4/c1-12-10-24-26-28(12)16-9-15(22)4-3-14(16)11-23-20(30)17-18(29)21(31)27(2)19(25-17)13-5-7-32-8-6-13/h3-4,9-10,13,29H,5-8,11H2,1-2H3,(H,23,30)	PDB UniProtKB/TrEMBL B.MOAD 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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25973 (2-amino-3-{3-[12-methyl-8-(methylamino)-3-thia-1,7...) Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CC(N)C(O)=O)c1 Show InChI InChI=1S/C19H19N5O2S/c1-10-9-22-17-16(21-2)23-14-8-15(27-18(14)24(10)17)12-5-3-4-11(6-12)7-13(20)19(25)26/h3-6,8-9,13H,7,20H2,1-2H3,(H,21,23)(H,25,26)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25966 (2-[(2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-...) Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNCC(N)=O)c1 Show InChI InChI=1S/C20H22N6OS/c1-12-10-24-19-18(22-2)25-15-9-16(28-20(15)26(12)19)14-5-3-4-13(8-14)6-7-23-11-17(21)27/h3-5,8-10,23H,6-7,11H2,1-2H3,(H2,21,27)(H,22,25)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25975 ((2S)-2-amino-3-{3-[12-methyl-8-(methylamino)-3-thi...) Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(C[C@H](N)C(N)=O)c1 |r| Show InChI InChI=1S/C19H20N6OS/c1-10-9-23-18-17(22-2)24-14-8-15(27-19(14)25(10)18)12-5-3-4-11(6-12)7-13(20)16(21)26/h3-6,8-9,13H,7,20H2,1-2H3,(H2,21,26)(H,22,24)/t13-/m0/s1	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042019 (CHEMBL3360125) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCN(C(C)(C)C)S2(=O)=O)c(O)c1=O)C1CCOC1 Show InChI InChI=1S/C23H30FN5O6S/c1-23(2,3)29-9-8-28(36(29,33)34)17-11-16(24)6-5-14(17)12-25-21(31)18-19(30)22(32)27(4)20(26-18)15-7-10-35-13-15/h5-6,11,15,30H,7-10,12-13H2,1-4H3,(H,25,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042030 (CHEMBL3360136) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2N2CCN(C(C)(C)C)S2(=O)=O)c(O)c1=O)C1CCOCC1 Show InChI InChI=1S/C24H32FN5O6S/c1-24(2,3)30-10-9-29(37(30,34)35)18-13-17(25)6-5-16(18)14-26-22(32)19-20(31)23(33)28(4)21(27-19)15-7-11-36-12-8-15/h5-6,13,15,31H,7-12,14H2,1-4H3,(H,26,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042018 (CHEMBL3352894) Show SMILES Cn1cnnc1-c1cc(F)ccc1CNC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O Show InChI InChI=1S/C20H21FN6O4/c1-26-10-23-25-18(26)14-7-13(21)4-3-11(14)8-22-19(29)15-16(28)20(30)27(2)17(24-15)12-5-6-31-9-12/h3-4,7,10,12,28H,5-6,8-9H2,1-2H3,(H,22,29)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50201124 (3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...) Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)	PDB MMDB 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	<18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Concentration required to inhibit Cytochrome P450 2C9 in vitro by 50%				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50201124 (3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...) Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)	PDB MMDB 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	<18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Concentration required to inhibit Cytochrome P450 1A2 in vitro by 50%				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50201124 (3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...) Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)	PDB MMDB 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	<18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BzRes in vitro by 50%				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50201124 (3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...) Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1 Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)	PDB MMDB 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	<18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BFC in vitro by 50%				J Med Chem 48: 5639-43 (2005) Article DOI: 10.1021/jm050392q BindingDB Entry DOI: 10.7270/Q2MW2GPP
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25922 (2-({12-methyl-11,14,17-triazatetracyclo[8.7.0.0^{3...) Show SMILES Cc1cnc2c(NCCO)nc3cc4ccccc4cc3n12 Show InChI InChI=1S/C17H16N4O/c1-11-10-19-17-16(18-6-7-22)20-14-8-12-4-2-3-5-13(12)9-15(14)21(11)17/h2-5,8-10,22H,6-7H2,1H3,(H,18,20)	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	18	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 1233-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.017 BindingDB Entry DOI: 10.7270/Q2V40SJF
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25920 (N,12-dimethyl-11,14,17-triazatetracyclo[8.7.0.0^{3...) Show SMILES CNc1nc2cc3ccccc3cc2n2c(C)cnc12 Show InChI InChI=1S/C16H14N4/c1-10-9-18-16-15(17-2)19-13-7-11-5-3-4-6-12(11)8-14(13)20(10)16/h3-9H,1-2H3,(H,17,19)	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	18	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 1233-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.017 BindingDB Entry DOI: 10.7270/Q2V40SJF
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25964 ((2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-tri...) Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNC(N)=O)c1 Show InChI InChI=1S/C19H20N6OS/c1-11-10-23-17-16(21-2)24-14-9-15(27-18(14)25(11)17)13-5-3-4-12(8-13)6-7-22-19(20)26/h3-5,8-10H,6-7H2,1-2H3,(H,21,24)(H3,20,22,26)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042008 (CHEMBL3360110) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1=CCOC1 |t:22| Show InChI InChI=1S/C17H16FN3O4/c1-21-15(11-6-7-25-9-11)20-13(14(22)17(21)24)16(23)19-8-10-2-4-12(18)5-3-10/h2-6,22H,7-9H2,1H3,(H,19,23)	PDB UniProtKB/TrEMBL B.MOAD 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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25972 (3-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-tria...) Show SMILES CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCC(N)=O)c1 Show InChI InChI=1S/C19H19N5OS/c1-11-10-22-18-17(21-2)23-14-9-15(26-19(14)24(11)18)13-5-3-4-12(8-13)6-7-16(20)25/h3-5,8-10H,6-7H2,1-2H3,(H2,20,25)(H,21,23)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25944 (2-(3-{8-[(2-aminoethyl)amino]-12-methyl-3-thia-1,7...) Show SMILES Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1cccc(CCO)c1 Show InChI InChI=1S/C19H21N5OS/c1-12-11-22-18-17(21-7-6-20)23-15-10-16(26-19(15)24(12)18)14-4-2-3-13(9-14)5-8-25/h2-4,9-11,25H,5-8,20H2,1H3,(H,21,23)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph...				Bioorg Med Chem Lett 17: 4284-9 (2007) Article DOI: 10.1016/j.bmcl.2007.05.031 BindingDB Entry DOI: 10.7270/Q2QF8R50
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50042009 (CHEMBL3360109) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)-c1ccco1 Show InChI InChI=1S/C17H14FN3O4/c1-21-15(12-3-2-8-25-12)20-13(14(22)17(21)24)16(23)19-9-10-4-6-11(18)7-5-10/h2-8,22H,9H2,1H3,(H,19,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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 HIV-1 integrase strand transfer activity				Bioorg Med Chem Lett 25: 717-20 (2015) Article DOI: 10.1016/j.bmcl.2014.11.060 BindingDB Entry DOI: 10.7270/Q2JD4ZFN
					More data for this Ligand-Target Pair

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