Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 20 entry = 50046956   

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))	BDBM50139853 (CHEMBL3764143 | US10577361, E14) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)-c1ncco1 Show InChI InChI=1S/C26H26F3N5O2S/c1-33-23(19-3-5-20(6-4-19)24-30-11-14-36-24)31-32-25(33)37-16-2-12-34-13-15-35-22(17-34)18-7-9-21(10-8-18)26(27,28)29/h3-11,14,22H,2,12-13,15-17H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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 [3H]-dofetilide from human ERG potassium channel by scintillation proximity 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))	BDBM50139853 (CHEMBL3764143 | US10577361, E14) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)-c1ncco1 Show InChI InChI=1S/C26H26F3N5O2S/c1-33-23(19-3-5-20(6-4-19)24-30-11-14-36-24)31-32-25(33)37-16-2-12-34-13-15-35-22(17-34)18-7-9-21(10-8-18)26(27,28)29/h3-11,14,22H,2,12-13,15-17H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	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 [3H]-dofetilide from human ERG potassium channel by scintillation proximity 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))	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)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	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
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50139850 (CHEMBL3763418 | US10577361, E4) Show SMILES Cc1ncoc1-c1nnc(SCCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C Show InChI InChI=1S/C22H26F3N5O2S/c1-15-19(32-14-26-15)20-27-28-21(29(20)2)33-12-4-3-9-30-10-11-31-18(13-30)16-5-7-17(8-6-16)22(23,24)25/h5-8,14,18H,3-4,9-13H2,1-2H3	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 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
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50139861 (CHEMBL3764557 | US10577361, E7) Show SMILES Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C Show InChI InChI=1S/C21H24F3N5O2S/c1-14-18(31-13-25-14)19-26-27-20(28(19)2)32-11-3-8-29-9-10-30-17(12-29)15-4-6-16(7-5-15)21(22,23)24/h4-7,13,17H,3,8-12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	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
D(3) dopamine receptor (Rattus norvegicus (Rat))	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	398	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