Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'D(4) dopamine receptor' and Ligand = 'BDBM50200037'   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50200037 (2-(3',4',-5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1...) Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1 Show InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Displacement of [3H](R)-(+)-7-OH-DPAT from human D4.4 receptor expressed in HEK293 cell membranes measured after 90 mins by scintillation counting me...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231 BindingDB Entry DOI: 10.7270/Q20C505J
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50200037 (2-(3',4',-5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1...) Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1 Show InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane				J Med Chem 49: 7450-65 (2006) Article DOI: 10.1021/jm060662k BindingDB Entry DOI: 10.7270/Q25X28MM
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50200037 (2-(3',4',-5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1...) Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1 Show InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D4.4 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting me...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231 BindingDB Entry DOI: 10.7270/Q20C505J
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50200037 (2-(3',4',-5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1...) Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1 Show InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D4 receptor expressed in CHOK1 cells assessed as suppression of dopamine-induced inhibition of forskolin-stimulated cAMP...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231 BindingDB Entry DOI: 10.7270/Q20C505J
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50200037 (2-(3',4',-5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1...) Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1 Show InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Antagonist activity at human D4 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231 BindingDB Entry DOI: 10.7270/Q20C505J
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50200037 (2-(3',4',-5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1...) Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1 Show InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	473	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Agonist activity at human D4 receptor expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by luminesce...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231 BindingDB Entry DOI: 10.7270/Q20C505J
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50200037 (2-(3',4',-5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1...) Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1 Show InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR				J Med Chem 49: 7450-65 (2006) Article DOI: 10.1021/jm060662k BindingDB Entry DOI: 10.7270/Q25X28MM
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50200037 (2-(3',4',-5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1...) Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1 Show InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a
Rowan University Curated by ChEMBL					Assay Description Agonist activity at human D4 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 mins b...				J Med Chem 62: 3722-3740 (2019) Article DOI: 10.1021/acs.jmedchem.9b00231 BindingDB Entry DOI: 10.7270/Q20C505J
					More data for this Ligand-Target Pair