Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50139925'   

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 (Homo sapiens (Human))	BDBM50139925 (CHEMBL3764246 | US10577361, E37) Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-20(8-6-18)23-17-32(14-15-33-23)13-4-16-35-26-29-28-25(31(26)3)22-11-9-21(10-12-22)24-27-19(2)34-30-24/h5-12,23H,4,13-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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 Antagonist 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
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50139925 (CHEMBL3764246 | US10577361, E37) Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-20(8-6-18)23-17-32(14-15-33-23)13-4-16-35-26-29-28-25(31(26)3)22-11-9-21(10-12-22)24-27-19(2)34-30-24/h5-12,23H,4,13-17H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	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))	BDBM50139925 (CHEMBL3764246 | US10577361, E37) Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-20(8-6-18)23-17-32(14-15-33-23)13-4-16-35-26-29-28-25(31(26)3)22-11-9-21(10-12-22)24-27-19(2)34-30-24/h5-12,23H,4,13-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	85.1	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))	BDBM50139925 (CHEMBL3764246 | US10577361, E37) Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-20(8-6-18)23-17-32(14-15-33-23)13-4-16-35-26-29-28-25(31(26)3)22-11-9-21(10-12-22)24-27-19(2)34-30-24/h5-12,23H,4,13-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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