Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50036779   

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 (Homo sapiens (Human))	BDBM50083350 (6-(4-p-Tolyl-piperidin-1-ylmethyl)-4H-benzo[1,4]ox...) Show SMILES Cc1ccc(cc1)C1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C21H24N2O2/c1-15-2-5-17(6-3-15)18-8-10-23(11-9-18)13-16-4-7-20-19(12-16)22-21(24)14-25-20/h2-7,12,18H,8-11,13-14H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083344 (7-(4-Phenyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxa...) Show SMILES O=C1COc2cc(CN3CCN(CC3)c3ccccc3)ccc2N1 Show InChI InChI=1S/C19H21N3O2/c23-19-14-24-18-12-15(6-7-17(18)20-19)13-21-8-10-22(11-9-21)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083341 (7-(4-p-Tolyl-piperidin-1-ylmethyl)-4H-benzo[1,4]ox...) Show SMILES Cc1ccc(cc1)C1CCN(Cc2ccc3NC(=O)COc3c2)CC1 Show InChI InChI=1S/C21H24N2O2/c1-15-2-5-17(6-3-15)18-8-10-23(11-9-18)13-16-4-7-19-20(12-16)25-14-21(24)22-19/h2-7,12,18H,8-11,13-14H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083348 (7-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-4...) Show SMILES Cc1ccc(cc1C)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1 Show InChI InChI=1S/C21H25N3O2/c1-15-3-5-18(11-16(15)2)24-9-7-23(8-10-24)13-17-4-6-19-20(12-17)26-14-21(25)22-19/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	346	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083342 (7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-be...) Show SMILES Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1 Show InChI InChI=1S/C19H20ClN3O2/c20-15-2-4-16(5-3-15)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)25-13-19(24)21-17/h1-6,11H,7-10,12-13H2,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	413	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083338 (6-(4-p-Tolyl-piperazin-1-ylmethyl)-4H-benzo[1,4]ox...) Show SMILES Cc1ccc(cc1)N1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C20H23N3O2/c1-15-2-5-17(6-3-15)23-10-8-22(9-11-23)13-16-4-7-19-18(12-16)21-20(24)14-25-19/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	493	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083349 (6-[4-(3,4-Dimethyl-phenyl)-piperidin-1-ylmethyl]-4...) Show SMILES Cc1ccc(cc1C)C1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-15-3-5-19(11-16(15)2)18-7-9-24(10-8-18)13-17-4-6-21-20(12-17)23-22(25)14-26-21/h3-6,11-12,18H,7-10,13-14H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	572	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083337 (7-[4-(3,4-Dimethyl-phenyl)-piperidin-1-ylmethyl]-4...) Show SMILES Cc1ccc(cc1C)C1CCN(Cc2ccc3NC(=O)COc3c2)CC1 Show InChI InChI=1S/C22H26N2O2/c1-15-3-5-19(11-16(15)2)18-7-9-24(10-8-18)13-17-4-6-20-21(12-17)26-14-22(25)23-20/h3-6,11-12,18H,7-10,13-14H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083339 (6-[4-(4-Methoxy-phenyl)-piperidin-1-ylmethyl]-4H-b...) Show SMILES COc1ccc(cc1)C1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C21H24N2O3/c1-25-18-5-3-16(4-6-18)17-8-10-23(11-9-17)13-15-2-7-20-19(12-15)22-21(24)14-26-20/h2-7,12,17H,8-11,13-14H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	698	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM85093 (CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...) Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	908	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083346 (7-[4-(4-Methoxy-phenyl)-piperidin-1-ylmethyl]-4H-b...) Show SMILES COc1ccc(cc1)C1CCN(Cc2ccc3NC(=O)COc3c2)CC1 Show InChI InChI=1S/C21H24N2O3/c1-25-18-5-3-16(4-6-18)17-8-10-23(11-9-17)13-15-2-7-19-20(12-15)26-14-21(24)22-19/h2-7,12,17H,8-11,13-14H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083335 (6-(4-Phenyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxa...) Show SMILES O=C1COc2ccc(CN3CCN(CC3)c3ccccc3)cc2N1 Show InChI InChI=1S/C19H21N3O2/c23-19-14-24-18-7-6-15(12-17(18)20-19)13-21-8-10-22(11-9-21)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083340 (6-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-4...) Show SMILES Cc1ccc(cc1C)N1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C21H25N3O2/c1-15-3-5-18(11-16(15)2)24-9-7-23(8-10-24)13-17-4-6-20-19(12-17)22-21(25)14-26-20/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083347 (7-(4-p-Tolyl-piperazin-1-ylmethyl)-4H-benzo[1,4]ox...) Show SMILES Cc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1 Show InChI InChI=1S/C20H23N3O2/c1-15-2-5-17(6-3-15)23-10-8-22(9-11-23)13-16-4-7-18-19(12-16)25-14-20(24)21-18/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083336 (6-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-4H-b...) Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C20H23N3O3/c1-25-17-5-3-16(4-6-17)23-10-8-22(9-11-23)13-15-2-7-19-18(12-15)21-20(24)14-26-19/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083345 (7-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-4H-b...) Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1 Show InChI InChI=1S/C20H23N3O3/c1-25-17-5-3-16(4-6-17)23-10-8-22(9-11-23)13-15-2-7-18-19(12-15)26-14-20(24)21-18/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>5.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50083343 (6-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-be...) Show SMILES Clc1ccc(cc1)N1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C19H20ClN3O2/c20-15-2-4-16(5-3-15)23-9-7-22(8-10-23)12-14-1-6-18-17(11-14)21-19(24)13-25-18/h1-6,11H,7-10,12-13H2,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>5.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.				J Med Chem 42: 5181-7 (2000) BindingDB Entry DOI: 10.7270/Q23T9HZ0
					More data for this Ligand-Target Pair