Compile Data Set for Download or QSAR

Found 410 hits with Last Name = 'reddy' and Initial = 'l'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50274165 (CHEMBL4126996) Show SMILES Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)cc(c1)-c1ccncc1 Show InChI InChI=1S/C26H26FN3O2S/c27-24-18-21(17-23(19-24)22-9-11-28-12-10-22)2-1-20-3-5-25(6-4-20)29-13-15-30(16-14-29)33(31,32)26-7-8-26/h1-6,9-12,17-19,26H,7-8,13-16H2/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50274157 (CHEMBL4127656) Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1 Show InChI InChI=1S/C26H28FN3O2S/c1-20(2)33(31,32)30-15-13-29(14-16-30)26-7-5-21(6-8-26)3-4-22-17-24(19-25(27)18-22)23-9-11-28-12-10-23/h3-12,17-20H,13-16H2,1-2H3/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50274156 (CHEMBL4128368) Show SMILES Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C(F)(F)F)cc(c1)-c1ccncc1 Show InChI InChI=1S/C24H21F4N3O2S/c25-22-16-19(15-21(17-22)20-7-9-29-10-8-20)2-1-18-3-5-23(6-4-18)30-11-13-31(14-12-30)34(32,33)24(26,27)28/h1-10,15-17H,11-14H2/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010779 (CHEMBL310003 | N-Bicyclo[2.2.1]hept-2-yl-N'-(2-iod...) Show SMILES NC(Nc1ccccc1I)=NC1CC2CCC1C2 |w:10.11,TEB:10:11:17:15.14| Show InChI InChI=1S/C14H18IN3/c15-11-3-1-2-4-12(11)17-14(16)18-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2,(H3,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]-DTG in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Mus musculus)	BDBM31883 (9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of binding to retinoid A receptor RAR gamma				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50568625 (CHEMBL4876739) Show SMILES Nc1nc(cn2c3ccccc3nc12)-c1ccc(F)cc1F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cell membrane preincubated for 5 mins followed measured after 50 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113040 BindingDB Entry DOI: 10.7270/Q23T9N03
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50274164 (CHEMBL4129721) Show SMILES CC(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1 Show InChI InChI=1S/C25H24FN3O/c1-19(30)28-12-14-29(15-13-28)25-6-4-20(5-7-25)2-3-21-16-23(18-24(26)17-21)22-8-10-27-11-9-22/h2-11,16-18H,12-15H2,1H3/b3-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010779 (CHEMBL310003 | N-Bicyclo[2.2.1]hept-2-yl-N'-(2-iod...) Show SMILES NC(Nc1ccccc1I)=NC1CC2CCC1C2 |w:10.11,TEB:10:11:17:15.14| Show InChI InChI=1S/C14H18IN3/c15-11-3-1-2-4-12(11)17-14(16)18-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2,(H3,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]-DTG in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM330389 (US9725436, Entry 8) Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(c2)-c2ccncc2)cc1 Show InChI InChI=1S/C26H28ClN3O2S/c1-20(2)33(31,32)30-15-13-29(14-16-30)26-7-5-21(6-8-26)3-4-22-17-24(19-25(27)18-22)23-9-11-28-12-10-23/h3-12,17-20H,13-16H2,1-2H3/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010759 (CHEMBL553896 | N-Adamantan-1-yl-N'-(2-iodo-phenyl)...) Show SMILES NC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1I |w:13.16,TLB:6:7:11:5.4.10,10:9:12:5.4.6,10:5:12:9.11.8,THB:6:5:11:7.12.8| Show InChI InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50274147 (CHEMBL4129859) Show SMILES FC(F)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(c2)-c2ccncc2)cc1 Show InChI InChI=1S/C24H22ClF2N3O2S/c25-22-16-19(15-21(17-22)20-7-9-28-10-8-20)2-1-18-3-5-23(6-4-18)29-11-13-30(14-12-29)33(31,32)24(26)27/h1-10,15-17,24H,11-14H2/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM330383 (US9725436, Entry 3) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1 Show InChI InChI=1S/C24H24FN3O2S/c1-31(29,30)28-14-12-27(13-15-28)24-6-4-19(5-7-24)2-3-20-16-22(18-23(25)17-20)21-8-10-26-11-9-21/h2-11,16-18H,12-15H2,1H3/b3-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM330384 (US9725436, Entry 4) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(c2)-c2ccncc2)cc1 Show InChI InChI=1S/C24H24ClN3O2S/c1-31(29,30)28-14-12-27(13-15-28)24-6-4-19(5-7-24)2-3-20-16-22(18-23(25)17-20)21-8-10-26-11-9-21/h2-11,16-18H,12-15H2,1H3/b3-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50274155 (CHEMBL4127131) Show SMILES FC(F)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(Cn3ccnc3)c2)cc1 Show InChI InChI=1S/C23H23F3N4O2S/c24-21-14-19(13-20(15-21)16-28-8-7-27-17-28)2-1-18-3-5-22(6-4-18)29-9-11-30(12-10-29)33(31,32)23(25)26/h1-8,13-15,17,23H,9-12,16H2/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Mus musculus)	BDBM31883 (9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of binding to retinoid A receptor RAR beta				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50274146 (CHEMBL4126284) Show SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1 Show InChI InChI=1S/C25H26FN3O2S/c1-2-32(30,31)29-15-13-28(14-16-29)25-7-5-20(6-8-25)3-4-21-17-23(19-24(26)18-21)22-9-11-27-12-10-22/h3-12,17-19H,2,13-16H2,1H3/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50274162 (CHEMBL4127399) Show SMILES CC(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(c2)-c2ccncc2)cc1 Show InChI InChI=1S/C25H24ClN3O/c1-19(30)28-12-14-29(15-13-28)25-6-4-20(5-7-25)2-3-21-16-23(18-24(26)17-21)22-8-10-27-11-9-22/h2-11,16-18H,12-15H2,1H3/b3-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50274166 (CHEMBL4126956) Show SMILES FC(F)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1 Show InChI InChI=1S/C24H22F3N3O2S/c25-22-16-19(15-21(17-22)20-7-9-28-10-8-20)2-1-18-3-5-23(6-4-18)29-11-13-30(14-12-29)33(31,32)24(26)27/h1-10,15-17,24H,11-14H2/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM330391 (US9725436, Entry 10) Show SMILES Clc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)cc(c1)-c1ccncc1 |t:20| Show InChI InChI=1S/C26H25ClN4O/c27-24-18-21(17-23(19-24)22-7-9-28-10-8-22)2-1-20-3-5-25(6-4-20)30-12-14-31(15-13-30)26-29-11-16-32-26/h1-10,17-19H,11-16H2/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM330386 (US9725436, Entry 6) Show SMILES Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)cc(c1)-c1ccncc1 |t:20| Show InChI InChI=1S/C26H25FN4O/c27-24-18-21(17-23(19-24)22-7-9-28-10-8-22)2-1-20-3-5-25(6-4-20)30-12-14-31(15-13-30)26-29-11-16-32-26/h1-10,17-19H,11-16H2/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM330388 (US9725436, Entry 7) Show SMILES Clc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)cc(c1)-c1ccncc1 Show InChI InChI=1S/C26H26ClN3O2S/c27-24-18-21(17-23(19-24)22-9-11-28-12-10-22)2-1-20-3-5-25(6-4-20)29-13-15-30(16-14-29)33(31,32)26-7-8-26/h1-6,9-12,17-19,26H,7-8,13-16H2/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010782 (CHEMBL553347 | N-Adamantan-2-yl-N'-(2-iodo-phenyl)...) Show SMILES NC(Nc1ccccc1I)=NC1C2CC3CC(C2)CC1C3 |w:10.11,TLB:17:12:20:16.18.15,17:16:11.12.13:20,THB:15:14:11:16.17.18,15:16:11:14.13.20,TEB:10:11:14.13.20:16.17.18,10:11:20:16.18.15,10:11:18:14.20.15,(13.93,-.98,;13.93,-2.52,;15.28,-3.3,;16.62,-2.52,;16.62,-.98,;17.96,-.2,;19.3,-.98,;19.28,-2.52,;17.96,-3.3,;17.96,-4.84,;12.6,-3.3,;11.26,-2.52,;9.86,-1.94,;9.84,-.37,;10.89,.87,;9.55,.39,;9.55,-1.1,;8.36,-2.38,;10.87,-1.59,;12.29,-1.24,;12.29,.29,)| Show InChI InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-17(19)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50280995 (CHEMBL542638 | N-Adamantan-1-yl-N'-o-tolyl-acetami...) Show SMILES CC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1C |w:13.16,TLB:2:3:10:7.6.8,2:3:5.6.10:8,12:3:10:7.6.8,THB:4:3:5.6.10:8,4:5:3.12.11:8,12:7:3.4.11:10| Show InChI InChI=1S/C19H26N2/c1-13-5-3-4-6-18(13)20-14(2)21-19-10-15-7-16(11-19)9-17(8-15)12-19/h3-6,15-17H,7-12H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for binding affinity against sigma opioid receptor using [3H]-DTG radioligand in guinea pig membranes				Bioorg Med Chem Lett 3: 2113-2116 (1993) Article DOI: 10.1016/S0960-894X(01)81027-1 BindingDB Entry DOI: 10.7270/Q2930T28
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010759 (CHEMBL553896 | N-Adamantan-1-yl-N'-(2-iodo-phenyl)...) Show SMILES NC(NC12CC3CC(CC(C3)C1)C2)=Nc1ccccc1I |w:13.16,TLB:6:7:11:5.4.10,10:9:12:5.4.6,10:5:12:9.11.8,THB:6:5:11:7.12.8| Show InChI InChI=1S/C17H22IN3/c18-14-3-1-2-4-15(14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010742 (CHEMBL81773 | N-Bicyclo[2.2.1]hept-2-yl-N'-o-tolyl...) Show SMILES Cc1ccccc1NC(N)=NC1CC2CCC1C2 |w:10.11,TEB:10:11:17:15.14| Show InChI InChI=1S/C15H21N3/c1-10-4-2-3-5-13(10)17-15(16)18-14-9-11-6-7-12(14)8-11/h2-5,11-12,14H,6-9H2,1H3,(H3,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50274163 (CHEMBL4128495) Show SMILES Clc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)CC#N)cc(c1)-c1ccncc1 Show InChI InChI=1S/C25H23ClN4O2S/c26-24-18-21(17-23(19-24)22-7-10-28-11-8-22)2-1-20-3-5-25(6-4-20)29-12-14-30(15-13-29)33(31,32)16-9-27/h1-8,10-11,17-19H,12-16H2/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010795 (CHEMBL81461 | N-Adamantan-2-yl-N'-o-tolyl-guanidin...) Show SMILES Cc1ccccc1NC(N)=NC1C2CC3CC(C2)CC1C3 |w:10.11,TLB:17:12:20:16.18.15,17:16:11.12.13:20,THB:15:14:11:16.17.18,15:16:11:14.13.20,TEB:10:11:14.13.20:16.17.18,10:11:20:16.18.15,10:11:18:14.20.15,(9.63,-6.99,;9.63,-5.45,;10.95,-4.68,;10.97,-3.14,;9.63,-2.37,;8.31,-3.16,;8.31,-4.7,;6.96,-5.47,;5.63,-4.7,;5.63,-3.16,;4.3,-5.47,;2.96,-4.68,;1.57,-4.12,;1.55,-2.53,;2.6,-1.29,;1.25,-1.78,;1.26,-3.25,;.06,-4.53,;2.58,-3.75,;3.98,-3.41,;3.99,-1.87,)| Show InChI InChI=1S/C18H25N3/c1-11-4-2-3-5-16(11)20-18(19)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,17H,6-10H2,1H3,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Mus musculus)	BDBM31883 (9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of [3H]-ATRA binding to mouse Retinoic acid receptor RAR alpha				J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Mus musculus)	BDBM50031460 ((2E,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...) Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C\C(O)=O |c:2| Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14+,19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of binding to retinoid A receptor RAR beta				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Mus musculus)	BDBM31883 (9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of binding to retinoid A receptor RAR alpha				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50274149 (CHEMBL4127240) Show SMILES Clc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2c[nH]cn2)c1 Show InChI InChI=1S/C25H25ClN6O2S/c26-23-14-21(13-22(15-23)17-30-8-7-27-19-30)2-1-20-3-5-24(6-4-20)31-9-11-32(12-10-31)35(33,34)25-16-28-18-29-25/h1-8,13-16,18-19H,9-12,17H2,(H,28,29)/b2-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50568630 (CHEMBL4872721) Show SMILES Nc1nc(cn2c3ccccc3nc12)-c1ccco1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cell membrane preincubated for 5 mins followed measured after 50 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113040 BindingDB Entry DOI: 10.7270/Q23T9N03
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010742 (CHEMBL81773 | N-Bicyclo[2.2.1]hept-2-yl-N'-o-tolyl...) Show SMILES Cc1ccccc1NC(N)=NC1CC2CCC1C2 |w:10.11,TEB:10:11:17:15.14| Show InChI InChI=1S/C15H21N3/c1-10-4-2-3-5-13(10)17-15(16)18-14-9-11-6-7-12(14)8-11/h2-5,11-12,14H,6-9H2,1H3,(H3,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]-DTG in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010764 (CHEMBL543597 | N-Adamantan-1-yl-N'-cyclohexyl-guan...) Show SMILES NC(NC1CCCCC1)=NC12CC3CC(CC(C3)C1)C2 |w:9.10,TLB:13:14:18:12.11.17,17:16:19:12.11.13,17:12:19:16.18.15,THB:13:12:18:14.19.15| Show InChI InChI=1S/C17H29N3/c18-16(19-15-4-2-1-3-5-15)20-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H3,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010756 (CHEMBL81835 | N-Adamantan-1-yl-N'-o-tolyl-guanidin...) Show SMILES Cc1ccccc1N=C(N)NC12CC3CC(CC(C3)C1)C2 |w:7.7,TLB:14:15:19:13.12.18,18:17:20:13.12.14,18:13:20:17.19.16,THB:14:13:19:15.20.16| Show InChI InChI=1S/C18H25N3/c1-12-4-2-3-5-16(12)20-17(19)21-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010756 (CHEMBL81835 | N-Adamantan-1-yl-N'-o-tolyl-guanidin...) Show SMILES Cc1ccccc1N=C(N)NC12CC3CC(CC(C3)C1)C2 |w:7.7,TLB:14:15:19:13.12.18,18:17:20:13.12.14,18:13:20:17.19.16,THB:14:13:19:15.20.16| Show InChI InChI=1S/C18H25N3/c1-12-4-2-3-5-16(12)20-17(19)21-18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H3,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Retinoic acid receptor beta (Mus musculus)	BDBM50064254 ((2E,4E,6E,8Z)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...) Show SMILES C\C(\C=C/C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4| Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11-,15-8+,16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of binding to retinoid A receptor RAR beta				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010747 (CHEMBL543201 | CHEMBL78777 | N,N'-Bis-(3-ethyl-phe...) Show SMILES CCc1cccc(NC(N)=Nc2cccc(CC)c2)c1 |w:10.10| Show InChI InChI=1S/C17H21N3/c1-3-13-7-5-9-15(11-13)19-17(18)20-16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cambridge NeuroScience, Inc. Curated by ChEMBL					Assay Description Tested in vitro for the concentration required to inhibit specific [3H]-DTG radioligand binding to sigma receptor on guinea pig brain membrane				J Med Chem 37: 260-7 (1994) BindingDB Entry DOI: 10.7270/Q2HX1BRZ
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Mus musculus)	BDBM50035477 ((2E,4E,6E)-8-[2-Isopropyl-3-methyl-cyclohex-2-en-(...) Show SMILES CC(C)C1=C(C)CCC\C1=C/C(/C)=C/C=C/C(/C)=C/C(O)=O |c:3| Show InChI InChI=1S/C20H28O2/c1-14(2)20-17(5)10-7-11-18(20)12-15(3)8-6-9-16(4)13-19(21)22/h6,8-9,12-14H,7,10-11H2,1-5H3,(H,21,22)/b9-6+,15-8+,16-13+,18-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of [3H]-ATRA binding to mouse Retinoic acid receptor RAR alpha				J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010747 (CHEMBL543201 | CHEMBL78777 | N,N'-Bis-(3-ethyl-phe...) Show SMILES CCc1cccc(NC(N)=Nc2cccc(CC)c2)c1 |w:10.10| Show InChI InChI=1S/C17H21N3/c1-3-13-7-5-9-15(11-13)19-17(18)20-16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50280997 (CHEMBL544054 | N-Cyclohexyl-N'-o-tolyl-acetamidine...) Show SMILES CC(NC1CCCCC1)=Nc1ccccc1C |w:9.10| Show InChI InChI=1S/C15H22N2/c1-12-8-6-7-11-15(12)17-13(2)16-14-9-4-3-5-10-14/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for binding affinity against sigma opioid receptor using [3H]-DTG radioligand in guinea pig membranes				Bioorg Med Chem Lett 3: 2113-2116 (1993) Article DOI: 10.1016/S0960-894X(01)81027-1 BindingDB Entry DOI: 10.7270/Q2930T28
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50280994 (CHEMBL63508 | N-Bicyclo[2.2.1]hept-2-yl-N'-o-tolyl...) Show SMILES CC(NC1CC2CCC1C2)=Nc1ccccc1C |w:10.12,THB:2:3:9:7.6| Show InChI InChI=1S/C16H22N2/c1-11-5-3-4-6-15(11)17-12(2)18-16-10-13-7-8-14(16)9-13/h3-6,13-14,16H,7-10H2,1-2H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for binding affinity against sigma opioid receptor using [3H]-DTG radioligand in guinea pig membranes				Bioorg Med Chem Lett 3: 2113-2116 (1993) Article DOI: 10.1016/S0960-894X(01)81027-1 BindingDB Entry DOI: 10.7270/Q2930T28
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50568614 (CHEMBL4849795) Show SMILES Nc1nc(Cc2ccccc2)cn2c3ccccc3nc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-ZM241385 from human recombinant A2A receptor expressed in human HEK293 cell membrane preincubated for 5 mins and measured after ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113040 BindingDB Entry DOI: 10.7270/Q23T9N03
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50568618 (CHEMBL4846301) Show SMILES COc1cccc(c1)-c1cn2c3ccccc3nc2c(N)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-ZM241385 from human recombinant A2A receptor expressed in human HEK293 cell membrane preincubated for 5 mins and measured after ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113040 BindingDB Entry DOI: 10.7270/Q23T9N03
					More data for this Ligand-Target Pair
Retinoic acid receptor gamma (Mus musculus)	BDBM50031460 ((2E,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...) Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C\C(O)=O |c:2| Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14+,19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of binding to retinoid A receptor RAR gamma				J Med Chem 41: 1679-87 (1998) Article DOI: 10.1021/jm970635h BindingDB Entry DOI: 10.7270/Q20864F4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50568613 (CHEMBL4855390) Show SMILES Nc1nc(cn2c3ccccc3nc12)-c1cccc(Br)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-ZM241385 from human recombinant A2A receptor expressed in human HEK293 cell membrane preincubated for 5 mins and measured after ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113040 BindingDB Entry DOI: 10.7270/Q23T9N03
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010768 (CHEMBL553535 | N,N'-Di-adamantan-1-yl-guanidine; h...) Show SMILES NC(NC12CC3CC(CC(C3)C1)C2)=NC12CC3CC(CC(C3)C1)C2 |w:13.16,TLB:6:7:11:5.4.10,17:18:22:16.15.21,21:16:23:20.22.19,21:20:23:16.15.17,THB:6:5:11:7.12.8,17:16:22:18.23.19,8:9:4:7.12.6,8:7:4:9.11.10| Show InChI InChI=1S/C21H33N3/c22-19(23-20-7-13-1-14(8-20)3-15(2-13)9-20)24-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H3,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Mus musculus)	BDBM50031460 ((2E,4E,6E)-8-[3-Ethyl-2-isopropyl-cyclohex-2-en-(E...) Show SMILES CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C\C(O)=O |c:2| Show InChI InChI=1S/C21H30O2/c1-6-18-11-8-12-19(21(18)15(2)3)13-16(4)9-7-10-17(5)14-20(22)23/h7,9-10,13-15H,6,8,11-12H2,1-5H3,(H,22,23)/b10-7+,16-9+,17-14+,19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of [3H]-ATRA binding to mouse Retinoic acid receptor RAR alpha				J Med Chem 39: 3625-35 (1996) Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010768 (CHEMBL553535 | N,N'-Di-adamantan-1-yl-guanidine; h...) Show SMILES NC(NC12CC3CC(CC(C3)C1)C2)=NC12CC3CC(CC(C3)C1)C2 |w:13.16,TLB:6:7:11:5.4.10,17:18:22:16.15.21,21:16:23:20.22.19,21:20:23:16.15.17,THB:6:5:11:7.12.8,17:16:22:18.23.19,8:9:4:7.12.6,8:7:4:9.11.10| Show InChI InChI=1S/C21H33N3/c22-19(23-20-7-13-1-14(8-20)3-15(2-13)9-20)24-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H3,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50010766 (CHEMBL79164 | N-Cyclohexyl-N'-o-tolyl-guanidine) Show SMILES Cc1ccccc1N=C(N)NC1CCCCC1 |w:7.7| Show InChI InChI=1S/C14H21N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair

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