Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50035704   

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	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50004796 (8-Chloro-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2cc1Cl)c1ccccc1 Show InChI InChI=1S/C16H16ClNO/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,18-19H,6-7,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50038349 ((S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1 Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50022051 (1-Phenyl-6-chloro-7-hydroxy-N-methyl-1,2,3,4-tetra...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C1c1ccccc1 Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					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	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50022052 (1-Benzyl-6-chloro-2-methyl-1,2,3,4-tetrahydro-isoq...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C1Cc1ccccc1 Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-10-15(18)17(20)11-14(13)16(19)9-12-5-3-2-4-6-12/h2-6,10-11,16,20H,7-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50367602 (CHEMBL65397) Show SMILES Oc1cc2[C@@H](NCCc2cc1Cl)c1ccccc1 Show InChI InChI=1S/C15H14ClNO/c16-13-8-11-6-7-17-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15,17-18H,6-7H2/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50022053 (1-Benzyl-6-chloro-2-methyl-1,2,3,4-tetrahydro-isoq...) Show SMILES CN1CC(c2ccccc2)c2cc(O)c(Cl)cc2C1 Show InChI InChI=1S/C16H16ClNO/c1-18-9-12-7-15(17)16(19)8-13(12)14(10-18)11-5-3-2-4-6-11/h2-8,14,19H,9-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50367601 (CHEMBL293828) Show SMILES CCCN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1 Show InChI InChI=1S/C18H20ClNO/c1-2-9-20-10-8-14-11-16(19)17(21)12-15(14)18(20)13-6-4-3-5-7-13/h3-7,11-12,18,21H,2,8-10H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50022052 (1-Benzyl-6-chloro-2-methyl-1,2,3,4-tetrahydro-isoq...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C1Cc1ccccc1 Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-10-15(18)17(20)11-14(13)16(19)9-12-5-3-2-4-6-12/h2-6,10-11,16,20H,7-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	287	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50038350 ((R)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	442	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50022053 (1-Benzyl-6-chloro-2-methyl-1,2,3,4-tetrahydro-isoq...) Show SMILES CN1CC(c2ccccc2)c2cc(O)c(Cl)cc2C1 Show InChI InChI=1S/C16H16ClNO/c1-18-9-12-7-15(17)16(19)8-13(12)14(10-18)11-5-3-2-4-6-11/h2-8,14,19H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	522	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50022054 (7-Chloro-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-6...) Show SMILES Oc1cc2C(CNCc2cc1Cl)c1ccccc1 Show InChI InChI=1S/C15H14ClNO/c16-14-6-11-8-17-9-13(12(11)7-15(14)18)10-4-2-1-3-5-10/h1-7,13,17-18H,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	565	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50004796 (8-Chloro-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...) Show SMILES Oc1cc2C(CNCCc2cc1Cl)c1ccccc1 Show InChI InChI=1S/C16H16ClNO/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,18-19H,6-7,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	676	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50367600 (CHEMBL1788322) Show SMILES Oc1cc2[C@H](NCCc2cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C15H14ClNO/c16-13-8-11-6-7-17-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15,17-18H,6-7H2/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	743	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50022051 (1-Phenyl-6-chloro-7-hydroxy-N-methyl-1,2,3,4-tetra...) Show SMILES CN1CCc2cc(Cl)c(O)cc2C1c1ccccc1 Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	915	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50038349 ((S)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1 Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367601 (CHEMBL293828) Show SMILES CCCN1CCc2cc(Cl)c(O)cc2[C@@H]1c1ccccc1 Show InChI InChI=1S/C18H20ClNO/c1-2-9-20-10-8-14-11-16(19)17(21)12-15(14)18(20)13-6-4-3-5-7-13/h3-7,11-12,18,21H,2,8-10H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50022054 (7-Chloro-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-6...) Show SMILES Oc1cc2C(CNCc2cc1Cl)c1ccccc1 Show InChI InChI=1S/C15H14ClNO/c16-14-6-11-8-17-9-13(12(11)7-15(14)18)10-4-2-1-3-5-10/h1-7,13,17-18H,8-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367602 (CHEMBL65397) Show SMILES Oc1cc2[C@@H](NCCc2cc1Cl)c1ccccc1 Show InChI InChI=1S/C15H14ClNO/c16-13-8-11-6-7-17-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15,17-18H,6-7H2/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50038350 ((R)-6-Chloro-2-methyl-1-phenyl-1,2,3,4-tetrahydro-...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367600 (CHEMBL1788322) Show SMILES Oc1cc2[C@H](NCCc2cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C15H14ClNO/c16-13-8-11-6-7-17-15(12(11)9-14(13)18)10-4-2-1-3-5-10/h1-5,8-9,15,17-18H,6-7H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM				J Med Chem 31: 1941-6 (1988) BindingDB Entry DOI: 10.7270/Q20002PD
					More data for this Ligand-Target Pair