BDBM50387563 CHEMBL2057446

SMILES: COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)c(OC)c34)Cc2c(OC)c1

InChI Key: InChIKey=OWQWXZCNCVEPNZ-KRWDZBQOSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50387563   

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))	BDBM50387563 (CHEMBL2057446) Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)c(OC)c34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C22H27NO5/c1-24-15-8-14-9-17-20-13(10-19(26-3)21(27-4)22(20)28-5)6-7-23(17)12-16(14)18(11-15)25-2/h8,10-11,17H,6-7,9,12H2,1-5H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.8	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))	BDBM50387563 (CHEMBL2057446) Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)c(OC)c34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C22H27NO5/c1-24-15-8-14-9-17-20-13(10-19(26-3)21(27-4)22(20)28-5)6-7-23(17)12-16(14)18(11-15)25-2/h8,10-11,17H,6-7,9,12H2,1-5H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+4	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))	BDBM50387563 (CHEMBL2057446) Show SMILES COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)c(OC)c34)Cc2c(OC)c1 |r| Show InChI InChI=1S/C22H27NO5/c1-24-15-8-14-9-17-20-13(10-19(26-3)21(27-4)22(20)28-5)6-7-23(17)12-16(14)18(11-15)25-2/h8,10-11,17H,6-7,9,12H2,1-5H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45.5	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