BDBM50306450 (6aS,13bS)-11-chloro-4-(4-(hydroxymethyl)phenyl)-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol::CHEMBL604176

SMILES: CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccc(CO)cc1

InChI Key: InChIKey=XNCBAANIRMIPBG-AZGAKELHSA-N

Data: 2 KI

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 2 hits for monomerid = 50306450   

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))	BDBM50306450 ((6aS,13bS)-11-chloro-4-(4-(hydroxymethyl)phenyl)-7...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccc(CO)cc1 |r| Show InChI InChI=1S/C26H26ClNO2/c1-28-12-11-18-13-23(27)25(30)14-22(18)26-21-4-2-3-19(20(21)9-10-24(26)28)17-7-5-16(15-29)6-8-17/h2-8,13-14,24,26,29-30H,9-12,15H2,1H3/t24-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting				Bioorg Med Chem Lett 20: 832-5 (2010) Article DOI: 10.1016/j.bmcl.2009.12.094 BindingDB Entry DOI: 10.7270/Q2FX79JH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50306450 ((6aS,13bS)-11-chloro-4-(4-(hydroxymethyl)phenyl)-7...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1c2cccc1-c1ccc(CO)cc1 |r| Show InChI InChI=1S/C26H26ClNO2/c1-28-12-11-18-13-23(27)25(30)14-22(18)26-21-4-2-3-19(20(21)9-10-24(26)28)17-7-5-16(15-29)6-8-17/h2-8,13-14,24,26,29-30H,9-12,15H2,1H3/t24-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting				Bioorg Med Chem Lett 20: 832-5 (2010) Article DOI: 10.1016/j.bmcl.2009.12.094 BindingDB Entry DOI: 10.7270/Q2FX79JH
					More data for this Ligand-Target Pair