Compile Data Set for Download or QSAR

Found 230 hits with Last Name = 'jagusch' and Initial = 'c'   

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))	BDBM50322794 (4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...) Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(-[#8])c1 Show InChI InChI=1S/C21H19NO2/c1-14(2)21(17-9-11-22-12-10-17)16-5-3-15(4-6-16)18-7-8-19(23)20(24)13-18/h3-13,23-24H,1-2H3	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
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50322784 (4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...) Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#7])c1 Show InChI InChI=1S/C21H20N2/c1-15(2)21(18-10-12-23-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(22)14-19/h3-14H,22H2,1-2H3	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	38	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50322793 (4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol | CHEMBL1...) Show SMILES Oc1ccc(cc1O)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H15NO2/c20-17-6-5-16(12-18(17)21)15-3-1-13(2-4-15)11-14-7-9-19-10-8-14/h1-10,12,20-21H,11H2	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	52	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50322793 (4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol | CHEMBL1...) Show SMILES Oc1ccc(cc1O)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H15NO2/c20-17-6-5-16(12-18(17)21)15-3-1-13(2-4-15)11-14-7-9-19-10-8-14/h1-10,12,20-21H,11H2	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	52	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50322790 (4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...) Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#8])c1 Show InChI InChI=1S/C21H19NO/c1-15(2)21(18-10-12-22-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(23)14-19/h3-14,23H,1-2H3	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	56	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50322787 (6-(4-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)phenyl)...) Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc2cc(-[#8])ccc2c1 Show InChI InChI=1S/C25H21NO/c1-17(2)25(20-11-13-26-14-12-20)19-5-3-18(4-6-19)21-7-8-23-16-24(27)10-9-22(23)15-21/h3-16,27H,1-2H3	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	62	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25457 (2-fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronap...) Show SMILES Oc1ccc(cc1F)-c1ccc2C(CCCc2c1)c1ccncc1 Show InChI InChI=1S/C21H18FNO/c22-20-13-16(5-7-21(20)24)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-23-11-9-14/h4-13,18,24H,1-3H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| 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 DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli				Bioorg Med Chem Lett 18: 267-73 (2008) Article DOI: 10.1016/j.bmcl.2007.10.079 BindingDB Entry DOI: 10.7270/Q2833RSP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| 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 DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli co-expressed with NADPH-P450 reductase				Bioorg Med Chem 16: 1992-2010 (2008) Article DOI: 10.1016/j.bmc.2007.10.094 BindingDB Entry DOI: 10.7270/Q29W0GBN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| 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 DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description To measure CYP3A4 activity, the product of testosterone 6-hydroxylation, 6beta-hydroxytestosterone was determined. After incubation, the reaction was...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| 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 DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| 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 DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50322792 (3-fluoro-4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)...) Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(F)c1 Show InChI InChI=1S/C21H18FNO/c1-14(2)21(17-9-11-23-12-10-17)16-5-3-15(4-6-16)18-7-8-20(24)19(22)13-18/h3-13,24H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50322786 (4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...) Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7])c(-[#7])c1 Show InChI InChI=1S/C21H21N3/c1-14(2)21(17-9-11-24-12-10-17)16-5-3-15(4-6-16)18-7-8-19(22)20(23)13-18/h3-13H,22-23H2,1-2H3	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	75	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50322789 (4'-(pyridin-4-ylmethyl)biphenyl-3-ol | 4-[(3'-Hydr...) Show SMILES Oc1cccc(c1)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H15NO/c20-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-19-11-9-15/h1-11,13,20H,12H2	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	97	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50322789 (4'-(pyridin-4-ylmethyl)biphenyl-3-ol | 4-[(3'-Hydr...) Show SMILES Oc1cccc(c1)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H15NO/c20-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-19-11-9-15/h1-11,13,20H,12H2	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	97	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50322791 (3-Fluoro-4'-(pyridin-4-ylmethyl)biphenyl-4-ol | CH...) Show SMILES Oc1ccc(cc1F)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H14FNO/c19-17-12-16(5-6-18(17)21)15-3-1-13(2-4-15)11-14-7-9-20-10-8-14/h1-10,12,21H,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM25448 (4-[6-(4-fluorophenyl)-3,4-dihydronaphthalen-1-yl]p...) Show SMILES Fc1ccc(cc1)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:12| Show InChI InChI=1S/C21H16FN/c22-19-7-4-15(5-8-19)17-6-9-21-18(14-17)2-1-3-20(21)16-10-12-23-13-11-16/h3-14H,1-2H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25456 (4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2...) Show SMILES Oc1ccc(cc1O)-c1ccc2C(CCCc2c1)c1ccncc1 Show InChI InChI=1S/C21H19NO2/c23-20-7-5-16(13-21(20)24)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-22-11-9-14/h4-13,18,23-24H,1-3H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM25446 (4-[6-(4-fluorophenyl)-1H-inden-3-yl]pyridine | Abi...) Show SMILES Fc1ccc(cc1)-c1ccc2C(=CCc2c1)c1ccncc1 |c:12| Show InChI InChI=1S/C20H14FN/c21-18-5-1-14(2-6-18)16-3-7-20-17(13-16)4-8-19(20)15-9-11-22-12-10-15/h1-3,5-13H,4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description To measure CYP3A4 activity, the product of testosterone 6-hydroxylation, 6beta-hydroxytestosterone was determined. After incubation, the reaction was...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25454 (4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen...) Show SMILES Fc1ccc(cc1)-c1ccc2C(CCCc2c1)c1ccncc1 Show InChI InChI=1S/C21H18FN/c22-19-7-4-15(5-8-19)17-6-9-21-18(14-17)2-1-3-20(21)16-10-12-23-13-11-16/h4-14,20H,1-3H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50322791 (3-Fluoro-4'-(pyridin-4-ylmethyl)biphenyl-4-ol | CH...) Show SMILES Oc1ccc(cc1F)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H14FNO/c19-17-12-16(5-6-18(17)21)15-3-1-13(2-4-15)11-14-7-9-20-10-8-14/h1-10,12,21H,11H2	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	186	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50322791 (3-Fluoro-4'-(pyridin-4-ylmethyl)biphenyl-4-ol | CH...) Show SMILES Oc1ccc(cc1F)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H14FNO/c19-17-12-16(5-6-18(17)21)15-3-1-13(2-4-15)11-14-7-9-20-10-8-14/h1-10,12,21H,11H2	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	186	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25451 (2-fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen...) Show SMILES Oc1ccc(cc1F)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:13| Show InChI InChI=1S/C21H16FNO/c22-20-13-16(5-7-21(20)24)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-23-11-9-14/h3-13,24H,1-2H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50322795 (4'-(1-(pyridin-4-yl)propyl)biphenyl-3-ol | CHEMBL1...) Show SMILES CCC(c1ccncc1)c1ccc(cc1)-c1cccc(O)c1 Show InChI InChI=1S/C20H19NO/c1-2-20(17-10-12-21-13-11-17)16-8-6-15(7-9-16)18-4-3-5-19(22)14-18/h3-14,20,22H,2H2,1H3	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	189	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50322791 (3-Fluoro-4'-(pyridin-4-ylmethyl)biphenyl-4-ol | CH...) Show SMILES Oc1ccc(cc1F)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H14FNO/c19-17-12-16(5-6-18(17)21)15-3-1-13(2-4-15)11-14-7-9-20-10-8-14/h1-10,12,21H,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster fibroblast				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Rattus norvegicus (Rat))	BDBM25458 ((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...) Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| 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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat testicular CYP17				Bioorg Med Chem 16: 1992-2010 (2008) Article DOI: 10.1016/j.bmc.2007.10.094 BindingDB Entry DOI: 10.7270/Q29W0GBN
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50322783 (4'-(pyridin-4-ylmethyl)biphenyl-3-amine | CHEMBL11...) Show SMILES Nc1cccc(c1)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H16N2/c19-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-20-11-9-15/h1-11,13H,12,19H2	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	226	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50322783 (4'-(pyridin-4-ylmethyl)biphenyl-3-amine | CHEMBL11...) Show SMILES Nc1cccc(c1)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H16N2/c19-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-20-11-9-15/h1-11,13H,12,19H2	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	226	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50324625 (5-[4-(Pyridin-4-ylmethyl)phenyl]-1H-indole | CHEMB...) Show SMILES C(c1ccncc1)c1ccc(cc1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C20H16N2/c1-3-17(18-5-6-20-19(14-18)9-12-22-20)4-2-15(1)13-16-7-10-21-11-8-16/h1-12,14,22H,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster fibroblast				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25453 (4-[5-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]py...) Show SMILES Fc1ccc(cc1)-c1ccc2C(CCc2c1)c1ccncc1 Show InChI InChI=1S/C20H16FN/c21-18-5-1-14(2-6-18)16-3-7-20-17(13-16)4-8-19(20)15-9-11-22-12-10-15/h1-3,5-7,9-13,19H,4,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	233	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50371480 (CHEMBL403808) Show SMILES CCC(c1ccc(cc1F)-c1cscc1C)n1ccnc1 |w:2.1| Show InChI InChI=1S/C17H17FN2S/c1-3-17(20-7-6-19-11-20)14-5-4-13(8-16(14)18)15-10-21-9-12(15)2/h4-11,17H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	236	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli co-expressed with NADPH-P450 reductase				Bioorg Med Chem 16: 1992-2010 (2008) Article DOI: 10.1016/j.bmc.2007.10.094 BindingDB Entry DOI: 10.7270/Q29W0GBN
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50324611 (4-[(4'-Hydroxybiphenyl-4-yl)methyl]pyridine | CHEM...) Show SMILES OC(c1ccncc1)c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C18H15NO2/c20-17-7-5-14(6-8-17)13-1-3-15(4-2-13)18(21)16-9-11-19-12-10-16/h1-12,18,20-21H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	248	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50324611 (4-[(4'-Hydroxybiphenyl-4-yl)methyl]pyridine | CHEM...) Show SMILES OC(c1ccncc1)c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C18H15NO2/c20-17-7-5-14(6-8-17)13-1-3-15(4-2-13)18(21)16-9-11-19-12-10-16/h1-12,18,20-21H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster fibroblast				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50322789 (4'-(pyridin-4-ylmethyl)biphenyl-3-ol | 4-[(3'-Hydr...) Show SMILES Oc1cccc(c1)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H15NO/c20-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-19-11-9-15/h1-11,13,20H,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	261	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster fibroblast				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50322789 (4'-(pyridin-4-ylmethyl)biphenyl-3-ol | 4-[(3'-Hydr...) Show SMILES Oc1cccc(c1)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H15NO/c20-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-19-11-9-15/h1-11,13,20H,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	261	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50371479 (CHEMBL403852) Show SMILES CCC(c1ccc(cc1)-c1ccsc1Cl)n1ccnc1 |w:2.1| Show InChI InChI=1S/C16H15ClN2S/c1-2-15(19-9-8-18-11-19)13-5-3-12(4-6-13)14-7-10-20-16(14)17/h3-11,15H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	263	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP17 expressed in Escherichia coli co-expressed with NADPH-P450 reductase				Bioorg Med Chem 16: 1992-2010 (2008) Article DOI: 10.1016/j.bmc.2007.10.094 BindingDB Entry DOI: 10.7270/Q29W0GBN
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50324617 (4-((3',4'-Difluorobiphenyl-4-yl)methyl)pyridine | ...) Show SMILES Fc1ccc(cc1F)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H13F2N/c19-17-6-5-16(12-18(17)20)15-3-1-13(2-4-15)11-14-7-9-21-10-8-14/h1-10,12H,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	273	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster fibroblast				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50322783 (4'-(pyridin-4-ylmethyl)biphenyl-3-amine | CHEMBL11...) Show SMILES Nc1cccc(c1)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H16N2/c19-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-20-11-9-15/h1-11,13H,12,19H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells				J Med Chem 53: 5049-53 (2010) Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50322783 (4'-(pyridin-4-ylmethyl)biphenyl-3-amine | CHEMBL11...) Show SMILES Nc1cccc(c1)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C18H16N2/c19-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-20-11-9-15/h1-11,13H,12,19H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster fibroblast				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM25441 (5-(3-fluoro-4-methoxyphenyl)-1-(pyridin-4-yl)-2,3-...) Show SMILES COc1ccc(cc1F)-c1ccc2c(CCC2(O)c2ccncc2)c1 Show InChI InChI=1S/C21H18FNO2/c1-25-20-5-3-15(13-19(20)22)14-2-4-18-16(12-14)6-9-21(18,24)17-7-10-23-11-8-17/h2-5,7-8,10-13,24H,6,9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	291	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50324614 (CHEMBL1215730 | N-(4'-Isonicotinoylbiphenyl-3-yl)a...) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C20H18N2O/c1-15(23)22-20-4-2-3-19(14-20)18-7-5-16(6-8-18)13-17-9-11-21-12-10-17/h2-12,14H,13H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	307	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster fibroblast				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25450 (4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]ben...) Show SMILES Oc1ccc(cc1O)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:13| Show InChI InChI=1S/C21H17NO2/c23-20-7-5-16(13-21(20)24)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-22-11-9-14/h3-13,23-24H,1-2H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	307	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM25449 (4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-...) Show SMILES Fc1ccc(cc1F)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:13| Show InChI InChI=1S/C21H15F2N/c22-20-7-5-16(13-21(20)23)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-24-11-9-14/h3-13H,1-2H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	311	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50324623 (4-(4-(thiophen-3-yl)benzyl)pyridine | CHEMBL121473...) Show SMILES C(c1ccncc1)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C16H13NS/c1-3-15(16-7-10-18-12-16)4-2-13(1)11-14-5-8-17-9-6-14/h1-10,12H,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster fibroblast				J Med Chem 53: 5749-58 (2010) Article DOI: 10.1021/jm100317b BindingDB Entry DOI: 10.7270/Q24B31J1
					More data for this Ligand-Target Pair

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