Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50034192   

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))	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))	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))	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
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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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
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
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50358582 (CHEMBL1923974) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(n1)C1(CC1)NC(C)=O Show InChI InChI=1S/C20H21N7O/c1-11(28)26-20(7-8-20)15-6-4-5-13(23-15)14-9-12-17-16(22-10-27(17)3)19(21-2)25-18(12)24-14/h4-6,9-10H,7-8H2,1-3H3,(H,26,28)(H2,21,24,25)	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	81	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))	BDBM50358595 (CHEMBL1923987) Show SMILES CNCC(=O)NCc1cccc(n1)-c1cc2c(nc(NC)c3ncn(C)c23)[nH]1 Show InChI InChI=1S/C19H22N8O/c1-20-9-15(28)22-8-11-5-4-6-13(24-11)14-7-12-17-16(23-10-27(17)3)19(21-2)26-18(12)25-14/h4-7,10,20H,8-9H2,1-3H3,(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 Similars	Article PubMed	n/a	n/a	86	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))	BDBM50358602 (CHEMBL1923993) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C20H24N8/c1-21-20-17-18(27(3)12-22-17)13-11-15(24-19(13)25-20)14-5-4-6-16(23-14)28-9-7-26(2)8-10-28/h4-6,11-12H,7-10H2,1-3H3,(H2,21,24,25)	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	128	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))	BDBM50358599 (CHEMBL1923990) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(NC(C)=O)n1 Show InChI InChI=1S/C17H17N7O/c1-9(25)20-13-6-4-5-11(21-13)12-7-10-15-14(19-8-24(15)3)17(18-2)23-16(10)22-12/h4-8H,1-3H3,(H2,18,22,23)(H,20,21,25)	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	130	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
Protein-tyrosine kinase 6 (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 MMDB 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	310	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 BRK				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))	BDBM50358603 (CHEMBL1923994) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cc(CNC(C)=O)ccn1 Show InChI InChI=1S/C18H19N7O/c1-10(26)21-8-11-4-5-20-13(6-11)14-7-12-16-15(22-9-25(16)3)18(19-2)24-17(12)23-14/h4-7,9H,8H2,1-3H3,(H,21,26)(H2,19,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	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
Vascular endothelial growth factor receptor 3 (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 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	360	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 FLT4				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))	BDBM50358601 (CHEMBL1923992) Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(n1)N(C)CCOC Show InChI InChI=1S/C19H23N7O/c1-20-19-16-17(26(3)11-21-16)12-10-14(23-18(12)24-19)13-6-5-7-15(22-13)25(2)8-9-27-4/h5-7,10-11H,8-9H2,1-4H3,(H2,20,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	438	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
Proto-oncogene tyrosine-protein kinase receptor Ret (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 MMDB 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	614	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 RET				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
Ephrin type-A receptor 1 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	686	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 EPHA1				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
Ephrin type-B receptor 1 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.11E+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 EphB1				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
Vascular endothelial growth factor receptor 2 (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 MMDB 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	1.49E+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 KDR				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 alpha (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.96E+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 IKK1				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
Cytochrome P450 2C9 (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 MMDB 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	2.50E+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 CYP2C9				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
Cytochrome P450 3A4 (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 MMDB 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	>4.00E+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 CYP3A4				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
Cytochrome P450 2D6 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+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 CYP2D6				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
Cytochrome P450 1A2 (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 MMDB 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	>4.00E+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 CYP1A2				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
Cytochrome P450 2C19 (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 MMDB 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	>4.00E+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 CYP2C19				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