Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'farquhar' and Initial = 'r'   

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
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50334788 ((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of [1-beta-2beta-3H]- -testosterone binding to human steroid 5-alpha-reductase type 2 of BPH tissue at 10 uM				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50063477 ((3S,10R,13S)-17-Imidazol-1-yl-10,13-dimethyl-2,3,4...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1ccnc1 |c:21,t:7| Show InChI InChI=1S/C22H30N2O/c1-21-9-7-16(25)13-15(21)3-4-17-18-5-6-20(24-12-11-23-14-24)22(18,2)10-8-19(17)21/h3,6,11-12,14,16-19,25H,4-5,7-10,13H2,1-2H3/t16-,17?,18?,19?,21-,22-/m0/s1	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	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coli				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50334788 ((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of [1-beta-3H]-androstenedione binding to human steroid 5-alpha-reductase type I expressed in DU-145 cells at 10 uM				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50128564 ((3S,10R,13S)-17-Benzoimidazol-1-yl-10,13-dimethyl-...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1cnc2ccccc12 |c:21,t:7| Show InChI InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19?,20?,21?,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coli				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50128544 ((10R,13S)-17-Benzoimidazol-1-yl-10,13-dimethyl-1,2...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1cnc2ccccc12 |c:21,t:8| Show InChI InChI=1S/C26H30N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-6,10,15-16,19-21H,7-9,11-14H2,1-2H3/t19?,20?,21?,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of [1-beta-2beta-3H]- -testosterone binding to human steroid 5-alpha-reductase type 2 of BPH tissue at 10 uM				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50128543 ((3S,10R,13S)-10,13-Dimethyl-17-pyrimidin-5-yl-2,3,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2c1cncnc1 |c:21,t:7| Show InChI InChI=1S/C23H30N2O/c1-22-9-7-17(26)11-16(22)3-4-18-20-6-5-19(15-12-24-14-25-13-15)23(20,2)10-8-21(18)22/h3,5,12-14,17-18,20-21,26H,4,6-11H2,1-2H3/t17-,18?,20?,21?,22-,23+/m0/s1	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	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coli				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50128544 ((10R,13S)-17-Benzoimidazol-1-yl-10,13-dimethyl-1,2...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1cnc2ccccc12 |c:21,t:8| Show InChI InChI=1S/C26H30N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-6,10,15-16,19-21H,7-9,11-14H2,1-2H3/t19?,20?,21?,25-,26-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of [1-beta-3H]-androstenedione binding to human steroid 5-alpha-reductase type I expressed in DU-145 cells at 10 uM				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
					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	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coli				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50128544 ((10R,13S)-17-Benzoimidazol-1-yl-10,13-dimethyl-1,2...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1cnc2ccccc12 |c:21,t:8| Show InChI InChI=1S/C26H30N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-6,10,15-16,19-21H,7-9,11-14H2,1-2H3/t19?,20?,21?,25-,26-/m0/s1	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	915	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coli				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (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 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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coli				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50128552 ((3S,10R,13S)-17-Benzotriazol-1-yl-10,13-dimethyl-2...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1nnc2ccccc12 |c:21,t:7| Show InChI InChI=1S/C25H31N3O/c1-24-13-11-17(29)15-16(24)7-8-18-19-9-10-23(25(19,2)14-12-20(18)24)28-22-6-4-3-5-21(22)26-27-28/h3-7,10,17-20,29H,8-9,11-15H2,1-2H3/t17-,18?,19?,20?,24-,25-/m0/s1	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coli				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50128542 ((3S,10R,13S)-10,13-Dimethyl-17-pyrazin-2-yl-2,3,4,...) Show SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2c1cnccn1 |c:21,t:7| Show InChI InChI=1S/C23H30N2O/c1-22-9-7-16(26)13-15(22)3-4-17-18-5-6-20(21-14-24-11-12-25-21)23(18,2)10-8-19(17)22/h3,6,11-12,14,16-19,26H,4-5,7-10,13H2,1-2H3/t16-,17?,18?,19?,22-,23-/m0/s1	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	3.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coli				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50165357 ((10R,13S)-17-Benzotriazol-1-yl-10,13-dimethyl-1,2,...) Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC=C2n1nnc2ccccc12 |c:21,t:8| Show InChI InChI=1S/C25H29N3O/c1-24-13-11-17(29)15-16(24)7-8-18-19-9-10-23(25(19,2)14-12-20(18)24)28-22-6-4-3-5-21(22)26-27-28/h3-6,10,15,18-20H,7-9,11-14H2,1-2H3/t18?,19?,20?,24-,25-/m0/s1	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	5.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coli				J Med Chem 48: 2972-84 (2005) Article DOI: 10.1021/jm040202w BindingDB Entry DOI: 10.7270/Q2TH8NHV
					More data for this Ligand-Target Pair