Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'lauterbach' and Initial = 't'   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid Curated by ChEMBL					Assay Description Inhibition of human recombinant microsomal CYP2D6 using {3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcoumarin} as substrate assessed as ...				J Med Chem 56: 7851-61 (2013) Article DOI: 10.1021/jm400766k BindingDB Entry DOI: 10.7270/Q290257C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50272209 (1-((9H-Fluoren-2-yl)ethyl)-1H-imidazole | CHEMBL50...) Show SMILES CC(c1ccc-2c(Cc3ccccc-23)c1)n1ccnc1 Show InChI InChI=1S/C18H16N2/c1-13(20-9-8-19-12-20)14-6-7-18-16(10-14)11-15-4-2-3-5-17(15)18/h2-10,12-13H,11H2,1H3	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
Saarland University Curated by ChEMBL					Assay Description Inhibition of CYP17 (unknown origin)				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50295628 (CHEMBL571003 | rac-3'-Fluoro-4'-(1-imidazol-1-yl-p...) Show SMILES CCC(c1ccc(cc1F)-c1ccc(O)c(O)c1)n1ccnc1 Show InChI InChI=1S/C18H17FN2O2/c1-2-16(21-8-7-20-11-21)14-5-3-12(9-15(14)19)13-4-6-17(22)18(23)10-13/h3-11,16,22-23H,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	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				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
					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))	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 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)
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	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))	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 coexpressed with cytochrome P450 reductase				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
					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				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50295627 (CHEMBL556280 | rac-3'-Fluoro-4'-(1-imidazol-1-yl-p...) Show SMILES CCC(c1ccc(cc1F)-c1ccc(O)cc1)n1ccnc1 Show InChI InChI=1S/C18H17FN2O/c1-2-18(21-10-9-20-12-21)16-8-5-14(11-17(16)19)13-3-6-15(22)7-4-13/h3-12,18,22H,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	90	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				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50295632 (CHEMBL541941 | rac-3-Chloro-4'-(1-imidazol-1-yl-pr...) Show SMILES CCC(c1ccc(cc1)-c1ccc(O)c(Cl)c1)n1ccnc1 Show InChI InChI=1S/C18H17ClN2O/c1-2-17(21-10-9-20-12-21)14-5-3-13(4-6-14)15-7-8-18(22)16(19)11-15/h3-12,17,22H,2H2,1H3	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	91	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 expressed in baculovirus-infected insect microsome at 1 uM				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50272156 (7-(1-(1H-imidazol-1-yl)ethyl)-9H-fluoren-2-ol | CH...) Show SMILES CC(c1ccc-2c(Cc3cc(O)ccc-23)c1)n1ccnc1 Show InChI InChI=1S/C18H16N2O/c1-12(20-7-6-19-11-20)13-2-4-17-14(8-13)9-15-10-16(21)3-5-18(15)17/h2-8,10-12,21H,9H2,1H3	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	99	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 coexpressed with cytochrome P450 reductase				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50272209 (1-((9H-Fluoren-2-yl)ethyl)-1H-imidazole | CHEMBL50...) Show SMILES CC(c1ccc-2c(Cc3ccccc-23)c1)n1ccnc1 Show InChI InChI=1S/C18H16N2/c1-13(20-9-8-19-12-20)14-6-7-18-16(10-14)11-15-4-2-3-5-17(15)18/h2-10,12-13H,11H2,1H3	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	112	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 coexpressed with cytochrome P450 reductase				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50272212 (2-(1-(1H-Imidazol-1-yl)ethyl)-7-fluoro-9H-carbazol...) Show SMILES CC(c1ccc2c(c1)[nH]c1cc(F)ccc21)n1ccnc1 Show InChI InChI=1S/C17H14FN3/c1-11(21-7-6-19-10-21)12-2-4-14-15-5-3-13(18)9-17(15)20-16(14)8-12/h2-11,20H,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	118	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 coexpressed with cytochrome P450 reductase				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
					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
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
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50295625 (CHEMBL551253 | rac-4'-(1-Imidazol-1-yl-propyl)-bip...) Show SMILES CCC(c1ccc(cc1)-c1ccc(O)c(O)c1)n1ccnc1 Show InChI InChI=1S/C18H18N2O2/c1-2-16(20-10-9-19-12-20)14-5-3-13(4-6-14)15-7-8-17(21)18(22)11-15/h3-12,16,21-22H,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	152	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				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
					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))	BDBM50295624 (CHEMBL556833 | rac-4'-(1-Imidazol-1-yl-propyl)-bip...) Show SMILES CCC(c1ccc(cc1)-c1cccc(O)c1)n1ccnc1 Show InChI InChI=1S/C18H18N2O/c1-2-18(20-11-10-19-13-20)15-8-6-14(7-9-15)16-4-3-5-17(21)12-16/h3-13,18,21H,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	164	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				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50272210 (1-[1-(7-Fluoro-9H-fluoren-2-yl)-ethyl]-1H-imidazol...) Show SMILES CC(c1ccc-2c(Cc3cc(F)ccc-23)c1)n1ccnc1 Show InChI InChI=1S/C18H15FN2/c1-12(21-7-6-20-11-21)13-2-4-17-14(8-13)9-15-10-16(19)3-5-18(15)17/h2-8,10-12H,9H2,1H3	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	168	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 coexpressed with cytochrome P450 reductase				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50295629 (CHEMBL540997 | rac-1-[1-(3'-Methoxy-biphenyl-4-yl)...) Show SMILES CCC(c1ccc(cc1)-c1cccc(OC)c1)n1ccnc1 Show InChI InChI=1S/C19H20N2O/c1-3-19(21-12-11-20-14-21)16-9-7-15(8-10-16)17-5-4-6-18(13-17)22-2/h4-14,19H,3H2,1-2H3	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	188	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				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
					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))	BDBM50295626 (CHEMBL565098 | rac-4'-(1-Imidazol-1-yl-propyl)-bip...) Show SMILES CCC(c1ccc(cc1)-c1cc(O)cc(O)c1)n1ccnc1 Show InChI InChI=1S/C18H18N2O2/c1-2-18(20-8-7-19-12-20)14-5-3-13(4-6-14)15-9-16(21)11-17(22)10-15/h3-12,18,21-22H,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	195	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				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50295632 (CHEMBL541941 | rac-3-Chloro-4'-(1-imidazol-1-yl-pr...) Show SMILES CCC(c1ccc(cc1)-c1ccc(O)c(Cl)c1)n1ccnc1 Show InChI InChI=1S/C18H17ClN2O/c1-2-17(21-10-9-20-12-21)14-5-3-13(4-6-14)15-7-8-18(22)16(19)11-15/h3-12,17,22H,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	217	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				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
					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))	BDBM50272067 (4'-(1H -Imidazol-1-yl-propyl)-biphenyl-4-ol | CHEM...) Show SMILES CCC(c1ccc(cc1)-c1ccc(O)cc1)n1ccnc1 Show InChI InChI=1S/C18H18N2O/c1-2-18(20-12-11-19-13-20)16-5-3-14(4-6-16)15-7-9-17(21)10-8-15/h3-13,18,21H,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	231	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				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
					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))	BDBM50295631 (CHEMBL557233 | rac-4'-(1-Imidazol-1-yl-propyl)-3-m...) Show SMILES CCC(c1ccc(cc1)-c1ccc(O)c(C)c1)n1ccnc1 Show InChI InChI=1S/C19H20N2O/c1-3-18(21-11-10-20-13-21)16-6-4-15(5-7-16)17-8-9-19(22)14(2)12-17/h4-13,18,22H,3H2,1-2H3	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	261	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				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
					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
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50272211 (2-(1-Imidazol-1-yl-ethyl)-9H-carbazole | CHEMBL499...) Show SMILES CC(c1ccc2c(c1)[nH]c1ccccc21)n1ccnc1 Show InChI InChI=1S/C17H15N3/c1-12(20-9-8-18-11-20)13-6-7-15-14-4-2-3-5-16(14)19-17(15)10-13/h2-12,19H,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	282	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 coexpressed with cytochrome P450 reductase				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
					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
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50272542 (1-(1-Biphenyl-4-yl-pentyl)-1H-imidazole | CHEMBL49...) Show SMILES CCCCC(c1ccc(cc1)-c1ccccc1)n1ccnc1 Show InChI InChI=1S/C20H22N2/c1-2-3-9-20(22-15-14-21-16-22)19-12-10-18(11-13-19)17-7-5-4-6-8-17/h4-8,10-16,20H,2-3,9H2,1H3	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	300	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 coexpressed with cytochrome P450 reductase				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
					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
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50272541 (1-(1-Biphenyl-4-yl-2-methyl-propyl)-1H-imidazole |...) Show SMILES CC(C)C(c1ccc(cc1)-c1ccccc1)n1ccnc1 Show InChI InChI=1S/C19H20N2/c1-15(2)19(21-13-12-20-14-21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15,19H,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	310	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 coexpressed with cytochrome P450 reductase				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
					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
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25439 (5-(4-fluorophenyl)-1-(pyridin-4-yl)-2,3-dihydro-1H...) Show SMILES OC1(CCc2cc(ccc12)-c1ccc(F)cc1)c1ccncc1 Show InChI InChI=1S/C20H16FNO/c21-18-4-1-14(2-5-18)15-3-6-19-16(13-15)7-10-20(19,23)17-8-11-22-12-9-17/h1-6,8-9,11-13,23H,7,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	333	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))	BDBM50272068 (1-[1-(4'-Fluoro-biphenyl-4-yl)-propyl]-1H-imidazol...) Show SMILES CCC(c1ccc(cc1)-c1ccc(F)cc1)n1ccnc1 Show InChI InChI=1S/C18H17FN2/c1-2-18(21-12-11-20-13-21)16-5-3-14(4-6-16)15-7-9-17(19)10-8-15/h3-13,18H,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	345	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 coexpressed with cytochrome P450 reductase				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	357	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))	BDBM50371478 (CHEMBL403475) Show SMILES CCC(c1ccc(cc1)-c1ccsc1)n1ccnc1 |w:2.1| Show InChI InChI=1S/C16H16N2S/c1-2-16(18-9-8-17-12-18)14-5-3-13(4-6-14)15-7-10-19-11-15/h3-12,16H,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	373	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))	BDBM50272067 (4'-(1H -Imidazol-1-yl-propyl)-biphenyl-4-ol | CHEM...) Show SMILES CCC(c1ccc(cc1)-c1ccc(O)cc1)n1ccnc1 Show InChI InChI=1S/C18H18N2O/c1-2-18(20-12-11-19-13-20)16-5-3-14(4-6-16)15-7-9-17(21)10-8-15/h3-13,18,21H,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	375	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 coexpressed with cytochrome P450 reductase				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50295630 (CHEMBL557232 | rac-4'-(1-Imidazol-1-yl-propyl)-3,5...) Show SMILES CCC(c1ccc(cc1)-c1cc(C)c(O)c(C)c1)n1ccnc1 Show InChI InChI=1S/C20H22N2O/c1-4-19(22-10-9-21-13-22)17-7-5-16(6-8-17)18-11-14(2)20(23)15(3)12-18/h5-13,19,23H,4H2,1-3H3	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	379	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				Eur J Med Chem 44: 2765-75 (2009) Article DOI: 10.1016/j.ejmech.2009.01.002 BindingDB Entry DOI: 10.7270/Q24B31BB
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50272157 (1-((9H-Fluoren-2-yl)methyl)-1H-imidazole | CHEMBL5...) Show SMILES C(c1ccc-2c(Cc3ccccc-23)c1)n1ccnc1 Show InChI InChI=1S/C17H14N2/c1-2-4-16-14(3-1)10-15-9-13(5-6-17(15)16)11-19-8-7-18-12-19/h1-9,12H,10-11H2	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	388	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 coexpressed with cytochrome P450 reductase				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM25443 (6-(3,4-difluorophenyl)-1-(pyridin-4-yl)-1,2,3,4-te...) Show SMILES OC1(CCCc2cc(ccc12)-c1ccc(F)c(F)c1)c1ccncc1 Show InChI InChI=1S/C21H17F2NO/c22-19-6-4-15(13-20(19)23)14-3-5-18-16(12-14)2-1-9-21(18,25)17-7-10-24-11-8-17/h3-8,10-13,25H,1-2,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	423	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))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	436	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))	BDBM50272507 (1-(1-Biphenyl-4-yl-propyl)-1H-imidazole | CHEMBL49...) Show SMILES CCC(c1ccc(cc1)-c1ccccc1)n1ccnc1 Show InChI InChI=1S/C18H18N2/c1-2-18(20-13-12-19-14-20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,18H,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	450	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 coexpressed with cytochrome P450 reductase				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50272544 (1-(1-Biphenyl-4-yl-2,2-dimethyl-propyl)-1H-imidazo...) Show SMILES CC(C)(C)C(c1ccc(cc1)-c1ccccc1)n1ccnc1 Show InChI InChI=1S/C20H22N2/c1-20(2,3)19(22-14-13-21-15-22)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15,19H,1-3H3	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	460	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 coexpressed with cytochrome P450 reductase				Bioorg Med Chem 16: 7715-27 (2008) Article DOI: 10.1016/j.bmc.2008.07.011 BindingDB Entry DOI: 10.7270/Q2222TK7
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 142 total )  |  Next  |  Last  >>

Jump to: