Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50139860'   

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))	BDBM50139860 (CHEMBL3765754 | US10577361, E1) Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(F)cc2)n1C Show InChI InChI=1S/C20H24FN5O2S/c1-14-18(28-13-22-14)19-23-24-20(25(19)2)29-11-3-8-26-9-10-27-17(12-26)15-4-6-16(21)7-5-15/h4-7,13,17H,3,8-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D2 receptor after 45 mins by microplate scintillation counting analysis				Bioorg Med Chem Lett 26: 1329-32 (2016) Article DOI: 10.1016/j.bmcl.2015.12.081 BindingDB Entry DOI: 10.7270/Q2HM5B83
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50139860 (CHEMBL3765754 | US10577361, E1) Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(F)cc2)n1C Show InChI InChI=1S/C20H24FN5O2S/c1-14-18(28-13-22-14)19-23-24-20(25(19)2)29-11-3-8-26-9-10-27-17(12-26)15-4-6-16(21)7-5-15/h4-7,13,17H,3,8-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INDIVIOR UK LIMITED US Patent					Assay Description CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to Gα16 protein (CHO-Gα16-hD2L) were seeded into b...				US Patent US10577361 (2020) BindingDB Entry DOI: 10.7270/Q2GQ715H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50139860 (CHEMBL3765754 | US10577361, E1) Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(F)cc2)n1C Show InChI InChI=1S/C20H24FN5O2S/c1-14-18(28-13-22-14)19-23-24-20(25(19)2)29-11-3-8-26-9-10-27-17(12-26)15-4-6-16(21)7-5-15/h4-7,13,17H,3,8-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in bactosome using 7BQ as substrate				Bioorg Med Chem Lett 26: 1329-32 (2016) Article DOI: 10.1016/j.bmcl.2015.12.081 BindingDB Entry DOI: 10.7270/Q2HM5B83
					More data for this Ligand-Target Pair