Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50465945'   

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 (Homo sapiens (Human))	BDBM50465945 (CHEMBL4279267) Show SMILES Cc1ccc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C |(71.15,-35.83,;71.14,-34.29,;72.47,-33.52,;72.46,-31.97,;71.11,-31.22,;70.79,-29.72,;69.26,-29.56,;68.64,-30.97,;69.79,-31.99,;69.81,-33.53,;68.49,-34.3,;68.49,-35.85,;67.16,-36.62,;65.83,-35.85,;64.5,-36.63,;64.5,-38.17,;65.83,-38.93,;65.84,-40.47,;64.51,-41.24,;63.17,-40.47,;61.71,-40.95,;60.8,-39.72,;61.7,-38.47,;63.17,-38.94,;65.82,-34.31,;67.14,-33.54,;67.13,-32,)| Show InChI InChI=1S/C22H17N3O2/c1-14-3-6-20-23-10-11-25(20)21(14)17-5-4-16(13-15(17)2)27-22-18-8-12-26-19(18)7-9-24-22/h3-13H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50465945 (CHEMBL4279267) Show SMILES Cc1ccc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C |(71.15,-35.83,;71.14,-34.29,;72.47,-33.52,;72.46,-31.97,;71.11,-31.22,;70.79,-29.72,;69.26,-29.56,;68.64,-30.97,;69.79,-31.99,;69.81,-33.53,;68.49,-34.3,;68.49,-35.85,;67.16,-36.62,;65.83,-35.85,;64.5,-36.63,;64.5,-38.17,;65.83,-38.93,;65.84,-40.47,;64.51,-41.24,;63.17,-40.47,;61.71,-40.95,;60.8,-39.72,;61.7,-38.47,;63.17,-38.94,;65.82,-34.31,;67.14,-33.54,;67.13,-32,)| Show InChI InChI=1S/C22H17N3O2/c1-14-3-6-20-23-10-11-25(20)21(14)17-5-4-16(13-15(17)2)27-22-18-8-12-26-19(18)7-9-24-22/h3-13H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	64	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human dopamine D1 receptor expressed in HEK293T cells assessed as induction of cAMP levels after 30 mins by HTRF assay				J Med Chem 61: 11384-11397 (2018) Article DOI: 10.1021/acs.jmedchem.8b01622 BindingDB Entry DOI: 10.7270/Q20G3NT6
					More data for this Ligand-Target Pair