null

SMILES: COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c(OC)c1

InChI Key: InChIKey=JVNZVNCHIUVRJV-SFHVURJKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50387566   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50387566 (CHEMBL2057441 | US9359372, DC037075) Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C21H25NO4/c1-23-15-7-14-8-18-16-11-21(26-4)20(25-3)9-13(16)5-6-22(18)12-17(14)19(10-15)24-2/h7,9-11,18H,5-6,8,12H2,1-4H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	64.1	-9.97	114	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))	BDBM50387566 (CHEMBL2057441 | US9359372, DC037075) Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C21H25NO4/c1-23-15-7-14-8-18-16-11-21(26-4)20(25-3)9-13(16)5-6-22(18)12-17(14)19(10-15)24-2/h7,9-11,18H,5-6,8,12H2,1-4H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	106	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50387566 (CHEMBL2057441 | US9359372, DC037075) Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C21H25NO4/c1-23-15-7-14-8-18-16-11-21(26-4)20(25-3)9-13(16)5-6-22(18)12-17(14)19(10-15)24-2/h7,9-11,18H,5-6,8,12H2,1-4H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	730	-8.51	922	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))	BDBM50387566 (CHEMBL2057441 | US9359372, DC037075) Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C21H25NO4/c1-23-15-7-14-8-18-16-11-21(26-4)20(25-3)9-13(16)5-6-22(18)12-17(14)19(10-15)24-2/h7,9-11,18H,5-6,8,12H2,1-4H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	189	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