Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50036657   

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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50066910 ((+/-)7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dih...) Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H20ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11,15H,7-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]spiperone (Dopamine receptor D2) binding to rat tissue homogena...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50066910 ((+/-)7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dih...) Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H20ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11,15H,7-10,12H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogen...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogen...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50066910 ((+/-)7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dih...) Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H20ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11,15H,7-10,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]SCH-23390 (Dopamine receptor D1) binding to rat tissue homogena...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50066910 ((+/-)7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dih...) Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H20ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11,15H,7-10,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]SCH-23390 (Dopamine receptor D1) binding to rat tissue homogena...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50026957 ((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...) Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]SCH-23390 (Dopamine receptor D1) binding to rat tissue homogena...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50066910 ((+/-)7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dih...) Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H20ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11,15H,7-10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	49.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]spiperone (Dopamine receptor D2) binding to rat tissue homogena...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50066912 ((+/-)9-(4-Methyl-piperazin-1-yl)-9,10-dihydro-4-th...) Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccccc12 Show InChI InChI=1S/C17H21N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,15H,9-13H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogen...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]spiperone (Dopamine receptor D2) binding to rat tissue homogena...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50066912 ((+/-)9-(4-Methyl-piperazin-1-yl)-9,10-dihydro-4-th...) Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccccc12 Show InChI InChI=1S/C17H21N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,15H,9-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]spiperone (Dopamine receptor D2) binding to rat tissue homogena...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]SCH-23390 (Dopamine receptor D1) binding to rat tissue homogena...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50066912 ((+/-)9-(4-Methyl-piperazin-1-yl)-9,10-dihydro-4-th...) Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccccc12 Show InChI InChI=1S/C17H21N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,15H,9-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]SCH-23390 (Dopamine receptor D1) binding to rat tissue homogena...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM11638 (CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...) Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]spiperone (Dopamine receptor D2) binding to rat tissue homogena...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]spiperone (Dopamine receptor D2) binding to rat tissue homogena...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	353	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Binding affinity which represents concentration giving half-maximal inhibition of [3H]SCH-23390 (Dopamine receptor D1) binding to rat tissue homogena...				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50066910 ((+/-)7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dih...) Show SMILES CN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H20ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11,15H,7-10,12H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Siena Curated by ChEMBL					Assay Description Inhibition of dopamine uptake from dopamine uptake site				J Med Chem 41: 3763-72 (1998) Article DOI: 10.1021/jm9706832 BindingDB Entry DOI: 10.7270/Q2JH3MVJ
					More data for this Ligand-Target Pair