Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50387561'   

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(1A) dopamine receptor (Homo sapiens (Human))	BDBM50387561 (CHEMBL2057455 | US9359372, DC037079) Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C20H23NO4/c1-23-14-6-13-7-17-15-10-18(22)20(25-3)8-12(15)4-5-21(17)11-16(13)19(9-14)24-2/h6,8-10,17,22H,4-5,7,11H2,1-3H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter				Bioorg Med Chem 21: 856-68 (2013) Article DOI: 10.1016/j.bmc.2012.12.016 BindingDB Entry DOI: 10.7270/Q2JD4Z4M
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50387561 (CHEMBL2057455 | US9359372, DC037079) Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C20H23NO4/c1-23-14-6-13-7-17-15-10-18(22)20(25-3)8-12(15)4-5-21(17)11-16(13)19(9-14)24-2/h6,8-10,17,22H,4-5,7,11H2,1-3H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.53	-49.9	n/a	n/a	n/a	n/a	n/a	7.4	30
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES US Patent					Assay Description The affinity of compounds to D1 and D2 dopamine receptors were determined by competition binding assays. Membrane homogenates of HEK293T cells were s...				US Patent US9359372 (2016) BindingDB Entry DOI: 10.7270/Q2736PSP
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50387561 (CHEMBL2057455 | US9359372, DC037079) Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C20H23NO4/c1-23-14-6-13-7-17-15-10-18(22)20(25-3)8-12(15)4-5-21(17)11-16(13)19(9-14)24-2/h6,8-10,17,22H,4-5,7,11H2,1-3H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells				Bioorg Med Chem 20: 4862-71 (2012) Article DOI: 10.1016/j.bmc.2012.05.057 BindingDB Entry DOI: 10.7270/Q28P61K9
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50387561 (CHEMBL2057455 | US9359372, DC037079) Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C20H23NO4/c1-23-14-6-13-7-17-15-10-18(22)20(25-3)8-12(15)4-5-21(17)11-16(13)19(9-14)24-2/h6,8-10,17,22H,4-5,7,11H2,1-3H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	5.18	-48.1	9.85	n/a	n/a	n/a	n/a	n/a	30
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES US Patent					Assay Description Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...				US Patent US9359372 (2016) BindingDB Entry DOI: 10.7270/Q2736PSP
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50387561 (CHEMBL2057455 | US9359372, DC037079) Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C20H23NO4/c1-23-14-6-13-7-17-15-10-18(22)20(25-3)8-12(15)4-5-21(17)11-16(13)19(9-14)24-2/h6,8-10,17,22H,4-5,7,11H2,1-3H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.86	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells				Bioorg Med Chem 20: 4862-71 (2012) Article DOI: 10.1016/j.bmc.2012.05.057 BindingDB Entry DOI: 10.7270/Q28P61K9
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50387561 (CHEMBL2057455 | US9359372, DC037079) Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C20H23NO4/c1-23-14-6-13-7-17-15-10-18(22)20(25-3)8-12(15)4-5-21(17)11-16(13)19(9-14)24-2/h6,8-10,17,22H,4-5,7,11H2,1-3H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at dopamine D1 receptor assessed as inhibition of [35S]GTPgammaS binding in cell-based assay				Bioorg Med Chem 20: 4862-71 (2012) Article DOI: 10.1016/j.bmc.2012.05.057 BindingDB Entry DOI: 10.7270/Q28P61K9
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50387561 (CHEMBL2057455 | US9359372, DC037079) Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C20H23NO4/c1-23-14-6-13-7-17-15-10-18(22)20(25-3)8-12(15)4-5-21(17)11-16(13)19(9-14)24-2/h6,8-10,17,22H,4-5,7,11H2,1-3H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.5	n/a
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES US Patent					Assay Description For detecting the agonism action of the compounds, the [35S]GTPγS binding assay was performed at 30° C. for 40 mins in reaction buffer containin...				US Patent US9359372 (2016) BindingDB Entry DOI: 10.7270/Q2736PSP
					More data for this Ligand-Target Pair