BDBM50225745 CHEMBL1202420

SMILES: Cl.[H][C@@]12Cc3ccc(cc3[C@]3(CCCC[C@@]13[H])CCN2C)C(C)O

InChI Key: InChIKey=MFMHAEIXUJGROS-NDKOGGNSSA-N

Data: 1 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 1 hit for monomerid = 50225745   

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
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50225745 (CHEMBL1202420) Show SMILES Cl.[H][C@@]12Cc3ccc(cc3[C@]3(CCCC[C@@]13[H])CCN2C)C(C)O |r,TLB:8:9:15:17.18.19,THB:20:19:15:4.3.9| Show InChI InChI=1S/C19H27NO.ClH/c1-13(21)14-6-7-15-12-18-16-5-3-4-8-19(16,17(15)11-14)9-10-20(18)2;/h6-7,11,13,16,18,21H,3-5,8-10,12H2,1-2H3;1H/t13?,16-,18+,19+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibition of stereospecific [3H]-naltrexone (10e-9 M) binding towards opiate receptor in rat brain homogenate				J Med Chem 28: 1177-80 (1985) BindingDB Entry DOI: 10.7270/Q2X350PW
					More data for this Ligand-Target Pair