Compile Data Set for Download or QSAR

Found 174 hits of ki data for polymerid = 50001269,50003080   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50419548 (CHEMBL1929281) Show SMILES CC1(C)CCCN(CCCC2CCCCc3ccccc23)C1 Show InChI InChI=1S/C21H33N/c1-21(2)14-8-16-22(17-21)15-7-12-19-10-4-3-9-18-11-5-6-13-20(18)19/h5-6,11,13,19H,3-4,7-10,12,14-17H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes				Bioorg Med Chem 19: 7612-22 (2011) Article DOI: 10.1016/j.bmc.2011.10.023 BindingDB Entry DOI: 10.7270/Q2RX9CHF
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50003027 ((4aS,5S,6S,8aS)-5,8a-Dimethyl-2-(1,5,9-trimethyl-d...) Show SMILES CC(C)CCCC(C)CCCC(C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 Show InChI InChI=1S/C24H47NO/c1-18(2)9-7-10-19(3)11-8-12-20(4)25-16-14-22-21(5)23(26)13-15-24(22,6)17-25/h18-23,26H,7-17H2,1-6H3/t19?,20?,21-,22-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50067013 (1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...) Show SMILES COc1cccc2C(CCCCN3CCCC(C)(C)C3)CCCc12 Show InChI InChI=1S/C22H35NO/c1-22(2)14-8-16-23(17-22)15-5-4-9-18-10-6-12-20-19(18)11-7-13-21(20)24-3/h7,11,13,18H,4-6,8-10,12,14-17H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes				Bioorg Med Chem 19: 7612-22 (2011) Article DOI: 10.1016/j.bmc.2011.10.023 BindingDB Entry DOI: 10.7270/Q2RX9CHF
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50419545 (CHEMBL1929278) Show SMILES CC1(C)CCCN(CCCc2cccc3sccc23)C1 Show InChI InChI=1S/C18H25NS/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h3,6,8-9,13H,4-5,7,10-12,14H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes				Bioorg Med Chem 19: 7612-22 (2011) Article DOI: 10.1016/j.bmc.2011.10.023 BindingDB Entry DOI: 10.7270/Q2RX9CHF
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50065941 (1-{2-[4-(6-Methoxy-2-phenyl-3,4-dihydro-naphthalen...) Show SMILES COc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |c:6| Show InChI InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50170657 (1''-butyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-p...) Show SMILES CCCCN1CCC2(CCCc3ccccc23)CC1 Show InChI InChI=1S/C18H27N/c1-2-3-13-19-14-11-18(12-15-19)10-6-8-16-7-4-5-9-17(16)18/h4-5,7,9H,2-3,6,8,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50170652 ((2R,6S)-2,6-Dimethyl-4-tridecyl-morpholine | CHEMB...) Show SMILES CCCCCCCCCCCCCN1C[C@H](C)O[C@H](C)C1 Show InChI InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3/t18-,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM55354 (CLOMIPHENE | CLOMIPHENE CITRATE | MLS000069760 | S...) Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50419544 (CHEMBL1929277) Show SMILES CC1(C)CCCN(CCCc2cccc3occc23)C1 Show InChI InChI=1S/C18H25NO/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h3,6,8-9,13H,4-5,7,10-12,14H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes				Bioorg Med Chem 19: 7612-22 (2011) Article DOI: 10.1016/j.bmc.2011.10.023 BindingDB Entry DOI: 10.7270/Q2RX9CHF
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50299708 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronap...) Show SMILES COc1cccc2C(CCCC3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C25H39NO/c1-27-25-15-7-13-23-21(10-6-14-24(23)25)9-5-8-20-16-18-26(19-17-20)22-11-3-2-4-12-22/h7,13,15,20-22H,2-6,8-12,14,16-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay				J Med Chem 52: 7817-28 (2009) Article DOI: 10.1021/jm9007505 BindingDB Entry DOI: 10.7270/Q2CJ8FDB
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50419543 (CHEMBL1929275) Show SMILES CC1(C)CCCN(CCCCC2CCc3ccccc23)C1 Show InChI InChI=1S/C20H31N/c1-20(2)13-7-15-21(16-20)14-6-5-9-18-12-11-17-8-3-4-10-19(17)18/h3-4,8,10,18H,5-7,9,11-16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes				Bioorg Med Chem 19: 7612-22 (2011) Article DOI: 10.1016/j.bmc.2011.10.023 BindingDB Entry DOI: 10.7270/Q2RX9CHF
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50338990 (1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...) Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Binding affinity to EBP				J Med Chem 55: 8272-82 (2012) Article DOI: 10.1021/jm300371c BindingDB Entry DOI: 10.7270/Q2V40WB0
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50338990 (1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...) Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Radiopharmacy Curated by ChEMBL					Assay Description Binding affinity to EBP				Bioorg Med Chem 20: 257-69 (2011) Article DOI: 10.1016/j.bmc.2011.11.002 BindingDB Entry DOI: 10.7270/Q2NG4R2V
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50338990 (1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...) Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals (Beijing Normal University) Curated by ChEMBL					Assay Description Binding affinity to emopamil binding protein				Bioorg Med Chem 19: 2911-7 (2011) Article DOI: 10.1016/j.bmc.2011.03.037 BindingDB Entry DOI: 10.7270/Q2QJ7HN1
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50338990 (1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...) Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Radiopharmaceuticals Beijing Normal University Curated by ChEMBL					Assay Description Binding affinity to EBP (unknown origin)				J Med Chem 56: 3478-91 (2013) Article DOI: 10.1021/jm301734g BindingDB Entry DOI: 10.7270/Q28W3FN3
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50179265 (1-(4-(6-methoxynaphthalen-1-yl)butyl)-4,4-dimethyl...) Show SMILES COc1ccc2c(CCCCN3CCC(C)(C)CC3)cccc2c1 Show InChI InChI=1S/C22H31NO/c1-22(2)12-15-23(16-13-22)14-5-4-7-18-8-6-9-19-17-20(24-3)10-11-21(18)19/h6,8-11,17H,4-5,7,12-16H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes				J Med Chem 48: 8237-44 (2005) Article DOI: 10.1021/jm050654o BindingDB Entry DOI: 10.7270/Q2MP542J
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50179277 (1-(4-(6-methoxynaphthalen-1-yl)butyl)-3,3-dimethyl...) Show SMILES COc1ccc2c(CCCCN3CCCC(C)(C)C3)cccc2c1 Show InChI InChI=1S/C22H31NO/c1-22(2)13-7-15-23(17-22)14-5-4-8-18-9-6-10-19-16-20(24-3)11-12-21(18)19/h6,9-12,16H,4-5,7-8,13-15,17H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes				J Med Chem 48: 8237-44 (2005) Article DOI: 10.1021/jm050654o BindingDB Entry DOI: 10.7270/Q2MP542J
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM71545 (2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...) Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50170659 (2-[3-(Methyl-phenethyl-amino)-propyl]-2-phenyl-tet...) Show SMILES CCCCCCCCCCCCC(CCCN(C)CCc1ccccc1)(C#N)c1ccccc1 Show InChI InChI=1S/C32H48N2/c1-3-4-5-6-7-8-9-10-11-18-25-32(29-33,31-22-16-13-17-23-31)26-19-27-34(2)28-24-30-20-14-12-15-21-30/h12-17,20-23H,3-11,18-19,24-28H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50170651 ((3S,8R,9S,10R,13S,14S)-3-(2-Diethylamino-ethoxy)-1...) Show SMILES CCN(CC)CCO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1 |c:27| Show InChI InChI=1S/C25H41NO2/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24/h7,19-22H,5-6,8-17H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50419547 (CHEMBL1929280) Show SMILES CC1(C)CCCN(CCCCCC2CCCc3sccc23)C1 Show InChI InChI=1S/C20H33NS/c1-20(2)12-7-14-21(16-20)13-5-3-4-8-17-9-6-10-19-18(17)11-15-22-19/h11,15,17H,3-10,12-14,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes				Bioorg Med Chem 19: 7612-22 (2011) Article DOI: 10.1016/j.bmc.2011.10.023 BindingDB Entry DOI: 10.7270/Q2RX9CHF
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50007674 ((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...) Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane				J Med Chem 46: 2117-24 (2003) Article DOI: 10.1021/jm021014d BindingDB Entry DOI: 10.7270/Q2DF6RZR
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50179263 ((+)-(S)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-3-me...) Show SMILES COc1ccc2c(CCCCN3CCC[C@H](C)C3)cccc2c1 Show InChI InChI=1S/C21H29NO/c1-17-7-6-14-22(16-17)13-4-3-8-18-9-5-10-19-15-20(23-2)11-12-21(18)19/h5,9-12,15,17H,3-4,6-8,13-14,16H2,1-2H3/t17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes				J Med Chem 48: 8237-44 (2005) Article DOI: 10.1021/jm050654o BindingDB Entry DOI: 10.7270/Q2MP542J
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50170641 (CHEMBL188476 | [(E)-3-(3-Chloro-4-cyclohexyl-pheny...) Show SMILES CCN(C\C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1 Show InChI InChI=1S/C23H34ClN/c1-2-25(21-13-7-4-8-14-21)17-9-10-19-15-16-22(23(24)18-19)20-11-5-3-6-12-20/h9-10,15-16,18,20-21H,2-8,11-14,17H2,1H3/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50359687 (CHEMBL1929279 | CHEMBL1929431) Show SMILES CC1(C)CCCN(CCCC2CCCc3sccc23)C1 Show InChI InChI=1S/C18H29NS/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h9,13,15H,3-8,10-12,14H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes				Bioorg Med Chem 19: 7612-22 (2011) Article DOI: 10.1016/j.bmc.2011.10.023 BindingDB Entry DOI: 10.7270/Q2RX9CHF
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50128105 (1-[2-(4-Chloro-phenoxy)-propyl]-4-methyl-piperidin...) Show SMILES C[C@H](CN1CCC(C)CC1)Oc1ccc(Cl)cc1 Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)11-13(2)18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane				J Med Chem 46: 2117-24 (2003) Article DOI: 10.1021/jm021014d BindingDB Entry DOI: 10.7270/Q2DF6RZR
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50179270 ((+)-(S)-1-(3-(6-methoxynaphthalen-1-yl)propyl)-3-m...) Show SMILES COc1ccc2c(CCCN3CCC[C@H](C)C3)cccc2c1 Show InChI InChI=1S/C20H27NO/c1-16-6-4-12-21(15-16)13-5-9-17-7-3-8-18-14-19(22-2)10-11-20(17)18/h3,7-8,10-11,14,16H,4-6,9,12-13,15H2,1-2H3/t16-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes				J Med Chem 48: 8237-44 (2005) Article DOI: 10.1021/jm050654o BindingDB Entry DOI: 10.7270/Q2MP542J
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50179259 (1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES COc1ccc2C(CCCCN3CCCCC3)CCCc2c1 Show InChI InChI=1S/C20H31NO/c1-22-19-11-12-20-17(9-7-10-18(20)16-19)8-3-6-15-21-13-4-2-5-14-21/h11-12,16-17H,2-10,13-15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes				J Med Chem 48: 8237-44 (2005) Article DOI: 10.1021/jm050654o BindingDB Entry DOI: 10.7270/Q2MP542J
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50128110 (1-[2-(4-Chloro-phenoxy)-ethyl]-4-methyl-piperidine...) Show SMILES CC1CCN(CCOc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C14H20ClNO/c1-12-6-8-16(9-7-12)10-11-17-14-4-2-13(15)3-5-14/h2-5,12H,6-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane				J Med Chem 46: 2117-24 (2003) Article DOI: 10.1021/jm021014d BindingDB Entry DOI: 10.7270/Q2DF6RZR
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50128107 (1-[2-(4-Chloro-phenoxy)-1-methyl-ethyl]-4-methyl-p...) Show SMILES C[C@@H](COc1ccc(Cl)cc1)N1CCC(C)CC1 Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane				J Med Chem 46: 2117-24 (2003) Article DOI: 10.1021/jm021014d BindingDB Entry DOI: 10.7270/Q2DF6RZR
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50419550 (CHEMBL1929287) Show SMILES CC1(C)CCCN(CCCCC2CCCCC2)C1 Show InChI InChI=1S/C17H33N/c1-17(2)12-8-14-18(15-17)13-7-6-11-16-9-4-3-5-10-16/h16H,3-15H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes				Bioorg Med Chem 19: 7612-22 (2011) Article DOI: 10.1016/j.bmc.2011.10.023 BindingDB Entry DOI: 10.7270/Q2RX9CHF
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50170650 ((2-{4-[(2-Chloro-benzylamino)-methyl]-cyclohexyl}-...) Show SMILES Clc1ccccc1CNC[C@H]1CC[C@H](CCNc2ccccc2Cl)CC1 |wU:10.10,wD:13.14,(3.57,-2.64,;3.57,-1.1,;2.24,-.33,;2.24,1.21,;3.57,2,;4.91,1.23,;4.91,-.33,;6.24,-1.1,;7.57,-.31,;8.91,-1.08,;10.24,-.31,;10.24,1.21,;11.58,1.98,;12.91,1.21,;14.24,1.98,;15.59,1.21,;16.92,1.98,;18.25,1.21,;18.23,-.33,;19.56,-1.1,;20.91,-.33,;20.91,1.21,;19.58,1.98,;19.58,3.52,;12.91,-.33,;11.58,-1.1,)| Show InChI InChI=1S/C22H28Cl2N2/c23-20-6-2-1-5-19(20)16-25-15-18-11-9-17(10-12-18)13-14-26-22-8-4-3-7-21(22)24/h1-8,17-18,25-26H,9-16H2/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50179262 (1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES COc1ccc2C(CCCCN3CCC(C)(C)CC3)CCCc2c1 Show InChI InChI=1S/C22H35NO/c1-22(2)12-15-23(16-13-22)14-5-4-7-18-8-6-9-19-17-20(24-3)10-11-21(18)19/h10-11,17-18H,4-9,12-16H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes				J Med Chem 48: 8237-44 (2005) Article DOI: 10.1021/jm050654o BindingDB Entry DOI: 10.7270/Q2MP542J
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50219749 (3,3-dimethyl-1-[3-(7-methoxynaphthalen-1-yl)propyl...) Show SMILES COc1ccc2cccc(CCCN3CCCC(C)(C)C3)c2c1 Show InChI InChI=1S/C21H29NO/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-10-11-19(23-3)15-20(17)18/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H]emopamil from Delta-(8)-Delta-(7) sterol isomerase in guinea pig liver membrane				J Med Chem 50: 4648-55 (2007) Article DOI: 10.1021/jm070373b BindingDB Entry DOI: 10.7270/Q2SQ917Z
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50145022 (1-Cyclohexyl-4-[3-(5-methoxy-naphthalen-1-yl)-prop...) Show SMILES COc1cccc2c(CCCN3CCN(CC3)C3CCCCC3)cccc12 Show InChI InChI=1S/C24H34N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h5-6,8,12-14,21H,2-4,7,9-11,15-19H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H]emopamil from Delta-(8)-Delta-(7) sterol isomerase in guinea pig liver membrane				J Med Chem 50: 4648-55 (2007) Article DOI: 10.1021/jm070373b BindingDB Entry DOI: 10.7270/Q2SQ917Z
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50007674 ((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...) Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes				J Med Chem 48: 8237-44 (2005) Article DOI: 10.1021/jm050654o BindingDB Entry DOI: 10.7270/Q2MP542J
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50299726 (1-cyclohexyl-4-(3-cyclohexylpropyl)piperazine | CH...) Show SMILES C(CC1CCCCC1)CN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C19H36N2/c1-3-8-18(9-4-1)10-7-13-20-14-16-21(17-15-20)19-11-5-2-6-12-19/h18-19H,1-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay				J Med Chem 52: 7817-28 (2009) Article DOI: 10.1021/jm9007505 BindingDB Entry DOI: 10.7270/Q2CJ8FDB
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM20607 ((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50080017 ((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...) Show SMILES C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50274948 (CHEMBL457722 | cis-4-[4-(2,6-Dimethoxyphenyl)cyclo...) Show SMILES COc1cccc(OC)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:13.17,10.10,(18.58,-10.5,;17.25,-11.27,;17.25,-12.81,;15.92,-13.58,;15.92,-15.12,;17.26,-15.89,;18.59,-15.12,;19.93,-15.89,;19.93,-17.43,;18.59,-13.57,;19.92,-12.79,;21.25,-13.56,;22.58,-12.79,;22.58,-11.25,;21.24,-10.48,;19.91,-11.25,;23.91,-10.48,;25.24,-11.26,;26.57,-10.49,;26.58,-8.95,;25.24,-8.18,;23.9,-8.95,;27.91,-8.19,;27.91,-6.66,;29.24,-5.89,;30.58,-6.66,;30.57,-8.2,;29.24,-8.97,)| Show InChI InChI=1S/C23H31N3O2/c1-27-20-6-5-7-21(28-2)23(20)18-9-11-19(12-10-18)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-8,13,18-19H,9-12,14-17H2,1-2H3/t18-,19+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane				J Med Chem 51: 7523-31 (2009) Article DOI: 10.1021/jm800965b BindingDB Entry DOI: 10.7270/Q21837D3
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50274839 (CHEMBL456435 | cis-4-[4-(2-Methylphenyl)cyclohexyl...) Show SMILES Cc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,10.14,(14.09,-43.6,;14.1,-45.14,;12.77,-45.91,;12.77,-47.45,;14.1,-48.22,;15.44,-47.45,;15.43,-45.9,;16.76,-45.12,;18.09,-45.89,;19.42,-45.12,;19.42,-43.58,;18.09,-42.82,;16.75,-43.59,;20.75,-42.81,;22.08,-43.59,;23.41,-42.83,;23.42,-41.29,;22.09,-40.51,;20.75,-41.28,;24.75,-40.52,;24.75,-38.99,;26.08,-38.22,;27.42,-39,;27.41,-40.54,;26.08,-41.3,)| Show InChI InChI=1S/C22H29N3/c1-18-6-2-3-7-21(18)19-9-11-20(12-10-19)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,19-20H,9-12,14-17H2,1H3/t19-,20+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane				J Med Chem 51: 7523-31 (2009) Article DOI: 10.1021/jm800965b BindingDB Entry DOI: 10.7270/Q21837D3
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50179285 (1-(3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES COc1ccc2C(CCCN3CCC(C)CC3)CCCc2c1 Show InChI InChI=1S/C20H31NO/c1-16-10-13-21(14-11-16)12-4-7-17-5-3-6-18-15-19(22-2)8-9-20(17)18/h8-9,15-17H,3-7,10-14H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes				J Med Chem 48: 8237-44 (2005) Article DOI: 10.1021/jm050654o BindingDB Entry DOI: 10.7270/Q2MP542J
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50179281 (1-(3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES COc1ccc2C(CCCN3CCC(C)(C)CC3)CCCc2c1 Show InChI InChI=1S/C21H33NO/c1-21(2)11-14-22(15-12-21)13-5-8-17-6-4-7-18-16-19(23-3)9-10-20(17)18/h9-10,16-17H,4-8,11-15H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes				J Med Chem 48: 8237-44 (2005) Article DOI: 10.1021/jm050654o BindingDB Entry DOI: 10.7270/Q2MP542J
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50179269 (1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...) Show SMILES COc1ccc2C(CCCCN3CCC(C)CC3)CCCc2c1 Show InChI InChI=1S/C21H33NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h9-10,16-18H,3-8,11-15H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes				J Med Chem 48: 8237-44 (2005) Article DOI: 10.1021/jm050654o BindingDB Entry DOI: 10.7270/Q2MP542J
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Homo sapiens (Human))	BDBM50170648 ((R)-2-Isopropyl-5-(methyl-phenethyl-amino)-2-pheny...) Show SMILES CC(C)[C@@](CCCN(C)CCc1ccccc1)(C#N)c1ccccc1 Show InChI InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50179275 ((-)-(R)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-2-me...) Show SMILES COc1ccc2c(CCCCN3CCCC[C@H]3C)cccc2c1 Show InChI InChI=1S/C21H29NO/c1-17-8-3-5-14-22(17)15-6-4-9-18-10-7-11-19-16-20(23-2)12-13-21(18)19/h7,10-13,16-17H,3-6,8-9,14-15H2,1-2H3/t17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes				J Med Chem 48: 8237-44 (2005) Article DOI: 10.1021/jm050654o BindingDB Entry DOI: 10.7270/Q2MP542J
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50274970 (CHEMBL513936 | trans-4-[4-(2,6-Dimethoxyphenyl)cyc...) Show SMILES COc1cccc(OC)c1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:10.10,wD:13.17,(-7.45,-22.18,;-8.78,-22.95,;-8.77,-24.49,;-10.1,-25.26,;-10.1,-26.81,;-8.77,-27.58,;-7.43,-26.81,;-6.1,-27.57,;-6.1,-29.11,;-7.44,-25.26,;-6.11,-24.47,;-6.12,-22.94,;-4.78,-22.17,;-3.44,-22.94,;-3.45,-24.47,;-4.77,-25.24,;-2.12,-22.17,;-.78,-22.94,;.54,-22.18,;.55,-20.64,;-.78,-19.86,;-2.12,-20.63,;1.89,-19.87,;1.89,-18.34,;3.22,-17.57,;4.56,-18.35,;4.55,-19.89,;3.21,-20.65,)| Show InChI InChI=1S/C23H31N3O2/c1-27-20-6-5-7-21(28-2)23(20)18-9-11-19(12-10-18)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-8,13,18-19H,9-12,14-17H2,1-2H3/t18-,19-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane				J Med Chem 51: 7523-31 (2009) Article DOI: 10.1021/jm800965b BindingDB Entry DOI: 10.7270/Q21837D3
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50219751 (1-cyclohexyl-4-[3-(6-methoxynaphthalen-1-yl)propyl...) Show SMILES COc1ccc2c(CCCN3CCN(CC3)C3CCCCC3)cccc2c1 Show InChI InChI=1S/C24H34N2O/c1-27-23-12-13-24-20(7-5-8-21(24)19-23)9-6-14-25-15-17-26(18-16-25)22-10-3-2-4-11-22/h5,7-8,12-13,19,22H,2-4,6,9-11,14-18H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Displacement of [3H]emopamil from Delta-(8)-Delta-(7) sterol isomerase in guinea pig liver membrane				J Med Chem 50: 4648-55 (2007) Article DOI: 10.1021/jm070373b BindingDB Entry DOI: 10.7270/Q2SQ917Z
					More data for this Ligand-Target Pair
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (Cavia porcellus)	BDBM50274945 (CHEMBL457720 | trans-4-[4-(2-Chlorophenyl)cyclohex...) Show SMILES Clc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:7.7,wD:10.14,(13.43,1.57,;13.44,.03,;12.11,-.74,;12.11,-2.28,;13.44,-3.05,;14.78,-2.28,;14.77,-.73,;16.1,.05,;16.09,1.59,;17.43,2.36,;18.76,1.59,;18.76,.05,;17.44,-.72,;20.09,2.36,;21.42,1.58,;22.75,2.35,;22.76,3.89,;21.43,4.66,;20.09,3.9,;24.1,4.65,;24.1,6.19,;25.43,6.95,;26.77,6.18,;26.76,4.64,;25.42,3.88,)| Show InChI InChI=1S/C21H26ClN3/c22-20-6-2-1-5-19(20)17-8-10-18(11-9-17)24-13-15-25(16-14-24)21-7-3-4-12-23-21/h1-7,12,17-18H,8-11,13-16H2/t17-,18-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane				J Med Chem 51: 7523-31 (2009) Article DOI: 10.1021/jm800965b BindingDB Entry DOI: 10.7270/Q21837D3
					More data for this Ligand-Target Pair

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