Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50005330   

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
D(1A) dopamine receptor (RAT)	BDBM82247 (8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.15	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50010686 ((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...) Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.15	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50035647 ((6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenan...) Show SMILES Oc1ccc2CC[C@H]3NCc4ccccc4[C@@H]3c2c1 Show InChI InChI=1S/C17H17NO/c19-13-7-5-11-6-8-16-17(15(11)9-13)14-4-2-1-3-12(14)10-18-16/h1-5,7,9,16-19H,6,8,10H2/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010686 ((6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydr...) Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 was assessed in vitro in rat striatal membranes using [3H]-SCH- 23390 radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50035651 ((6aR,12bS)-6-Methyl-5,6,6a,7,8,12b-hexahydro-benzo...) Show SMILES CN1Cc2ccccc2[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C18H19NO/c1-19-11-13-4-2-3-5-15(13)18-16-10-14(20)8-6-12(16)7-9-17(18)19/h2-6,8,10,17-18,20H,7,9,11H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035644 ((6aR,12bR)-6-Methyl-5,6,6a,7,8,12b-hexahydro-benzo...) Show SMILES CN1Cc2ccccc2[C@H]2[C@H]1CCc1c(O)c(O)ccc21 Show InChI InChI=1S/C18H19NO2/c1-19-10-11-4-2-3-5-12(11)17-13-7-9-16(20)18(21)14(13)6-8-15(17)19/h2-5,7,9,15,17,20-21H,6,8,10H2,1H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 was assessed in vitro in rat striatal membranes using [3H]-SCH- 23390 radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035649 ((6aR,12bS)-6-Propyl-5,6,6a,7,8,12b-hexahydro-benzo...) Show SMILES CCCN1Cc2ccccc2[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C20H23NO/c1-2-11-21-13-15-5-3-4-6-17(15)20-18-12-16(22)9-7-14(18)8-10-19(20)21/h3-7,9,12,19-20,22H,2,8,10-11,13H2,1H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 was assessed in vitro in rat striatal membranes using [3H]-SCH- 23390 radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50035645 ((6aR,12bS)-10-Bromo-6-methyl-5,6,6a,7,8,12b-hexahy...) Show SMILES CN1Cc2ccccc2[C@H]2[C@H]1CCc1cc(Br)c(O)cc21 Show InChI InChI=1S/C18H18BrNO/c1-20-10-12-4-2-3-5-13(12)18-14-9-17(21)15(19)8-11(14)6-7-16(18)20/h2-5,8-9,16,18,21H,6-7,10H2,1H3/t16-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	322	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035651 ((6aR,12bS)-6-Methyl-5,6,6a,7,8,12b-hexahydro-benzo...) Show SMILES CN1Cc2ccccc2[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C18H19NO/c1-19-11-13-4-2-3-5-15(13)18-16-10-14(20)8-6-12(16)7-9-17(18)19/h2-6,8,10,17-18,20H,7,9,11H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	359	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 was assessed in vitro in rat striatal membranes using [3H]-SCH- 23390 radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50035649 ((6aR,12bS)-6-Propyl-5,6,6a,7,8,12b-hexahydro-benzo...) Show SMILES CCCN1Cc2ccccc2[C@H]2[C@H]1CCc1ccc(O)cc21 Show InChI InChI=1S/C20H23NO/c1-2-11-21-13-15-5-3-4-6-17(15)20-18-12-16(22)9-7-14(18)8-10-19(20)21/h3-7,9,12,19-20,22H,2,8,10-11,13H2,1H3/t19-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	529	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035650 ((6aR,12bR)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenan...) Show SMILES Oc1cccc2[C@@H]3[C@@H](CCc12)NCc1ccccc31 Show InChI InChI=1S/C17H17NO/c19-16-7-3-6-14-13(16)8-9-15-17(14)12-5-2-1-4-11(12)10-18-15/h1-7,15,17-19H,8-10H2/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	532	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 was assessed in vitro in rat striatal membranes using [3H]-SCH- 23390 radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035647 ((6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenan...) Show SMILES Oc1ccc2CC[C@H]3NCc4ccccc4[C@@H]3c2c1 Show InChI InChI=1S/C17H17NO/c19-13-7-5-11-6-8-16-17(15(11)9-13)14-4-2-1-3-12(14)10-18-16/h1-5,7,9,16-19H,6,8,10H2/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 was assessed in vitro in rat striatal membranes using [3H]-SCH- 23390 radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50035644 ((6aR,12bR)-6-Methyl-5,6,6a,7,8,12b-hexahydro-benzo...) Show SMILES CN1Cc2ccccc2[C@H]2[C@H]1CCc1c(O)c(O)ccc21 Show InChI InChI=1S/C18H19NO2/c1-19-10-11-4-2-3-5-12(11)17-13-7-9-16(20)18(21)14(13)6-8-15(17)19/h2-5,7,9,15,17,20-21H,6,8,10H2,1H3/t15-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	955	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50035648 ((R)-6-Amino-5-phenyl-5,6,7,8-tetrahydro-naphthalen...) Show SMILES NC1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C16H17NO2/c17-13-7-6-11-8-14(18)15(19)9-12(11)16(13)10-4-2-1-3-5-10/h1-5,8-9,13,16,18-19H,6-7,17H2/t13?,16-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Affinity towards Dopamine receptor D1				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50035648 ((R)-6-Amino-5-phenyl-5,6,7,8-tetrahydro-naphthalen...) Show SMILES NC1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C16H17NO2/c17-13-7-6-11-8-14(18)15(19)9-12(11)16(13)10-4-2-1-3-5-10/h1-5,8-9,13,16,18-19H,6-7,17H2/t13?,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description In vitro receptor binding affinity against Dopamine receptor D2				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035643 ((6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenan...) Show SMILES Oc1cccc2[C@H]3[C@@H](CCc12)NCc1ccccc31 Show InChI InChI=1S/C17H17NO/c19-16-7-3-6-14-13(16)8-9-15-17(14)12-5-2-1-4-11(12)10-18-15/h1-7,15,17-19H,8-10H2/t15-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 was assessed in vitro in rat striatal membranes using [3H]-SCH- 23390 radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50035643 ((6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenan...) Show SMILES Oc1cccc2[C@H]3[C@@H](CCc12)NCc1ccccc31 Show InChI InChI=1S/C17H17NO/c19-16-7-3-6-14-13(16)8-9-15-17(14)12-5-2-1-4-11(12)10-18-15/h1-7,15,17-19H,8-10H2/t15-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035645 ((6aR,12bS)-10-Bromo-6-methyl-5,6,6a,7,8,12b-hexahy...) Show SMILES CN1Cc2ccccc2[C@H]2[C@H]1CCc1cc(Br)c(O)cc21 Show InChI InChI=1S/C18H18BrNO/c1-20-10-12-4-2-3-5-13(12)18-14-9-17(21)15(19)8-11(14)6-7-16(18)20/h2-5,8-9,16,18,21H,6-7,10H2,1H3/t16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 was assessed in vitro in rat striatal membranes using [3H]-SCH- 23390 radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50035650 ((6aR,12bR)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenan...) Show SMILES Oc1cccc2[C@@H]3[C@@H](CCc12)NCc1ccccc31 Show InChI InChI=1S/C17H17NO/c19-16-7-3-6-14-13(16)8-9-15-17(14)12-5-2-1-4-11(12)10-18-15/h1-7,15,17-19H,8-10H2/t15-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035646 ((6aR,12bR)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenan...) Show SMILES Oc1ccc2CC[C@H]3NCc4ccccc4[C@H]3c2c1 Show InChI InChI=1S/C17H17NO/c19-13-7-5-11-6-8-16-17(15(11)9-13)14-4-2-1-3-12(14)10-18-16/h1-5,7,9,16-19H,6,8,10H2/t16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 was assessed in vitro in rat striatal membranes using [3H]-SCH- 23390 radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50035646 ((6aR,12bR)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenan...) Show SMILES Oc1ccc2CC[C@H]3NCc4ccccc4[C@H]3c2c1 Show InChI InChI=1S/C17H17NO/c19-13-7-5-11-6-8-16-17(15(11)9-13)14-4-2-1-3-12(14)10-18-16/h1-5,7,9,16-19H,6,8,10H2/t16-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand				J Med Chem 38: 318-27 (1995) BindingDB Entry DOI: 10.7270/Q2057DZH
					More data for this Ligand-Target Pair