Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50139864'   

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(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50139864 (CHEMBL3765402 | US10577361, E36) Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C21H27N5O2S/c1-15-5-7-17(8-6-15)18-13-26(10-11-27-18)9-4-12-29-21-24-23-20(25(21)3)19-16(2)22-14-28-19/h5-8,14,18H,4,9-13H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	501	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 D3 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(3) dopamine receptor (Homo sapiens (Human))	BDBM50139864 (CHEMBL3765402 | US10577361, E36) Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C21H27N5O2S/c1-15-5-7-17(8-6-15)18-13-26(10-11-27-18)9-4-12-29-21-24-23-20(25(21)3)19-16(2)22-14-28-19/h5-8,14,18H,4,9-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	676	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INDIVIOR UK LIMITED US Patent					Assay Description [3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD...				US Patent US10577361 (2020) BindingDB Entry DOI: 10.7270/Q2GQ715H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50139864 (CHEMBL3765402 | US10577361, E36) Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C21H27N5O2S/c1-15-5-7-17(8-6-15)18-13-26(10-11-27-18)9-4-12-29-21-24-23-20(25(21)3)19-16(2)22-14-28-19/h5-8,14,18H,4,9-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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 Agonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assay				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