Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM235778'   

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))	BDBM235778 (US9359372, DC037030) Show SMILES COc1cc2CCN3Cc4c(OC)ccc(OC)c4C[C@H]3c2cc1O |r| Show InChI InChI=1S/C20H23NO4/c1-23-18-4-5-19(24-2)15-11-21-7-6-12-8-20(25-3)17(22)10-13(12)16(21)9-14(15)18/h4-5,8,10,16,22H,6-7,9,11H2,1-3H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.70	-48.9	7.22	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))	BDBM235778 (US9359372, DC037030) Show SMILES COc1cc2CCN3Cc4c(OC)ccc(OC)c4C[C@H]3c2cc1O |r| Show InChI InChI=1S/C20H23NO4/c1-23-18-4-5-19(24-2)15-11-21-7-6-12-8-20(25-3)17(22)10-13(12)16(21)9-14(15)18/h4-5,8,10,16,22H,6-7,9,11H2,1-3H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.70	-48.9	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))	BDBM235778 (US9359372, DC037030) Show SMILES COc1cc2CCN3Cc4c(OC)ccc(OC)c4C[C@H]3c2cc1O |r| Show InChI InChI=1S/C20H23NO4/c1-23-18-4-5-19(24-2)15-11-21-7-6-12-8-20(25-3)17(22)10-13(12)16(21)9-14(15)18/h4-5,8,10,16,22H,6-7,9,11H2,1-3H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90E+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