Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50139852'   

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))	BDBM50139852 (CHEMBL3765426 | US10577361, E11) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C24H26F3N5O2S/c1-31-22(18-5-3-17(4-6-18)21(28)33)29-30-23(31)35-14-2-11-32-12-13-34-20(15-32)16-7-9-19(10-8-16)24(25,26)27/h3-10,20H,2,11-15H2,1H3,(H2,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.99E+3	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))	BDBM50139852 (CHEMBL3765426 | US10577361, E11) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C24H26F3N5O2S/c1-31-22(18-5-3-17(4-6-18)21(28)33)29-30-23(31)35-14-2-11-32-12-13-34-20(15-32)16-7-9-19(10-8-16)24(25,26)27/h3-10,20H,2,11-15H2,1H3,(H2,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50139852 (CHEMBL3765426 | US10577361, E11) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C24H26F3N5O2S/c1-31-22(18-5-3-17(4-6-18)21(28)33)29-30-23(31)35-14-2-11-32-12-13-34-20(15-32)16-7-9-19(10-8-16)24(25,26)27/h3-10,20H,2,11-15H2,1H3,(H2,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.10E+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 re-suspended ...				US Patent US10577361 (2020) BindingDB Entry DOI: 10.7270/Q2GQ715H
					More data for this Ligand-Target Pair