Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50047248   

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
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156232 (CHEMBL3782020) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccccn1 Show InChI InChI=1S/C18H14N4/c1-13-8-10-19-11-15(13)14-5-4-6-17-16(14)12-21-22(17)18-7-2-3-9-20-18/h2-12H,1H3	PDB 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	2	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 CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Macaca fascicularis)	BDBM50156282 (CHEMBL3780847) Show SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@@]1(C)C2CC=C1c1cccnc1 |r,c:22,t:3| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21?,22?,23-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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 CYP17A1 in cynomolgus monkey using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity assay in presence of...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Macaca fascicularis)	BDBM50391846 (CHEMBL2147041 | US9133160, 31) Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12 Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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 CYP17A1 in cynomolgus monkey adrenal microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity a...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Macaca fascicularis)	BDBM50156282 (CHEMBL3780847) Show SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@@]1(C)C2CC=C1c1cccnc1 |r,c:22,t:3| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21?,22?,23-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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 CYP17A1 in cynomolgus monkey adrenal microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity a...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156233 (CHEMBL3780658) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1cccnn1 Show InChI InChI=1S/C17H13N5/c1-12-7-9-18-10-14(12)13-4-2-5-16-15(13)11-20-22(16)17-6-3-8-19-21-17/h2-11H,1H3	PDB 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	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 human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156235 (CHEMBL3780266) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1nccs1 Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-9-13(11)12-3-2-4-15-14(12)10-19-20(15)16-18-7-8-21-16/h2-10H,1H3	PDB 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	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 human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156281 (CHEMBL3780743) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccccc1 Show InChI InChI=1S/C19H15N3/c1-14-10-11-20-12-17(14)16-8-5-9-19-18(16)13-21-22(19)15-6-3-2-4-7-15/h2-13H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Macaca fascicularis)	BDBM50391846 (CHEMBL2147041 | US9133160, 31) Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12 Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	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 CYP17A1 in cynomolgus monkey using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity assay in presence of...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156231 (CHEMBL3781112) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccc(F)cc1 Show InChI InChI=1S/C19H14FN3/c1-13-9-10-21-11-17(13)16-3-2-4-19-18(16)12-22-23(19)15-7-5-14(20)6-8-15/h2-12H,1H3	PDB 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	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 CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156234 (CHEMBL3780226) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1cnccn1 Show InChI InChI=1S/C17H13N5/c1-12-5-6-18-9-14(12)13-3-2-4-16-15(13)10-21-22(16)17-11-19-7-8-20-17/h2-11H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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 CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156236 (CHEMBL3780048) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1cscn1 Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-7-13(11)12-3-2-4-15-14(12)8-19-20(15)16-9-21-10-18-16/h2-10H,1H3	PDB 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	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 CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50391839 (CHEMBL2147034 | US9133160, 2) Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1ccccn1 Show InChI InChI=1S/C18H14N4/c1-13-8-10-19-11-15(13)14-5-4-6-16-18(14)21-12-22(16)17-7-2-3-9-20-17/h2-12H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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 CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156237 (CHEMBL3781487) Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1nccs1 Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-9-13(11)12-3-2-4-14-15(12)19-10-20(14)16-18-7-8-21-16/h2-10H,1H3	PDB 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	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 human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156238 (CHEMBL3781910) Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1cscn1 Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-7-13(11)12-3-2-4-14-16(12)18-9-20(14)15-8-21-10-19-15/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50391846 (CHEMBL2147041 | US9133160, 31) Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12 Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	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 CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50391846 (CHEMBL2147041 | US9133160, 31) Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12 Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	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 CYP17A1 in human adrenal microsomes using [3H]-pregnenolone as substrate incubated for 90 mins by scintillation proximity assay in pres...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50156282 (CHEMBL3780847) Show SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@@]1(C)C2CC=C1c1cccnc1 |r,c:22,t:3| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21?,22?,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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 CYP17A1 in human adrenal microsomes using [3H]-pregnenolone as substrate incubated for 90 mins by scintillation proximity assay in pres...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50391840 (CHEMBL2147035 | US9133160, 4) Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1cnccn1 Show InChI InChI=1S/C17H13N5/c1-12-5-6-18-9-14(12)13-3-2-4-15-17(13)21-11-22(15)16-10-19-7-8-20-16/h2-11H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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 CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50156236 (CHEMBL3780048) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1cscn1 Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-7-13(11)12-3-2-4-15-14(12)8-19-20(15)16-9-21-10-18-16/h2-10H,1H3	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	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 CYP1A2 (unknown origin)				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50156237 (CHEMBL3781487) Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1nccs1 Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-9-13(11)12-3-2-4-14-15(12)19-10-20(14)16-18-7-8-21-16/h2-10H,1H3	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	75	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 (unknown origin)				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50156235 (CHEMBL3780266) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1nccs1 Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-9-13(11)12-3-2-4-15-14(12)10-19-20(15)16-18-7-8-21-16/h2-10H,1H3	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	80	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 (unknown origin)				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50391839 (CHEMBL2147034 | US9133160, 2) Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1ccccn1 Show InChI InChI=1S/C18H14N4/c1-13-8-10-19-11-15(13)14-5-4-6-16-18(14)21-12-22(16)17-7-2-3-9-20-17/h2-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	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 (unknown origin)				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50156281 (CHEMBL3780743) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccccc1 Show InChI InChI=1S/C19H15N3/c1-14-10-11-20-12-17(14)16-8-5-9-19-18(16)13-21-22(19)15-6-3-2-4-7-15/h2-13H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	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 (unknown origin)				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50156232 (CHEMBL3782020) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccccn1 Show InChI InChI=1S/C18H14N4/c1-13-8-10-19-11-15(13)14-5-4-6-17-16(14)12-21-22(17)18-7-2-3-9-20-18/h2-12H,1H3	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	140	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 (unknown origin)				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50156238 (CHEMBL3781910) Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1cscn1 Show InChI InChI=1S/C16H12N4S/c1-11-5-6-17-7-13(11)12-3-2-4-14-16(12)18-9-20(14)15-8-21-10-19-15/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	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 (unknown origin)				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50391840 (CHEMBL2147035 | US9133160, 4) Show SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1cnccn1 Show InChI InChI=1S/C17H13N5/c1-12-5-6-18-9-14(12)13-3-2-4-15-17(13)21-11-22(15)16-10-19-7-8-20-16/h2-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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 (unknown origin)				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50156231 (CHEMBL3781112) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccc(F)cc1 Show InChI InChI=1S/C19H14FN3/c1-13-9-10-21-11-17(13)16-3-2-4-19-18(16)12-22-23(19)15-7-5-14(20)6-8-15/h2-12H,1H3	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	190	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 (unknown origin)				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50156233 (CHEMBL3780658) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1cccnn1 Show InChI InChI=1S/C17H13N5/c1-12-7-9-18-10-14(12)13-4-2-5-16-15(13)11-20-22(16)17-6-3-8-19-21-17/h2-11H,1H3	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	270	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 (unknown origin)				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50156282 (CHEMBL3780847) Show SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@@]1(C)C2CC=C1c1cccnc1 |r,c:22,t:3| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21?,22?,23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	872	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 CYP11B1 in human H295R cells using deoxycorticosterone as substrate incubated for 48 hrs by LC-MS method				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 21-hydroxylase (Homo sapiens (Human))	BDBM50156282 (CHEMBL3780847) Show SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@@]1(C)C2CC=C1c1cccnc1 |r,c:22,t:3| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21?,22?,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+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 CYP21A2 in human H295R cells using hydroxy progesterone as substrate incubated for 120 mins by LC-MS method				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50156234 (CHEMBL3780226) Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1cnccn1 Show InChI InChI=1S/C17H13N5/c1-12-5-6-18-9-14(12)13-3-2-4-16-15(13)10-21-22(16)17-11-19-7-8-20-17/h2-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.00E+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 CYP1A2 (unknown origin)				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Steroid 21-hydroxylase (Homo sapiens (Human))	BDBM50391846 (CHEMBL2147041 | US9133160, 31) Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12 Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.50E+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 CYP21A2 in human H295R cells using hydroxy progesterone as substrate incubated for 120 mins by LC-MS method				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50391846 (CHEMBL2147041 | US9133160, 31) Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12 Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.50E+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 CYP11B1 in human H295R cells using deoxycorticosterone as substrate incubated for 48 hrs by LC-MS method				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50391846 (CHEMBL2147041 | US9133160, 31) Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12 Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+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 CYP1A2 (unknown origin)				ACS Med Chem Lett 7: 40-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00310 BindingDB Entry DOI: 10.7270/Q2TH8PK5
					More data for this Ligand-Target Pair