BDBM50367937 CHEMBL1202931

SMILES: CN([C@@H]1CC[C@]2(CCCO2)C[C@H]1N1CCCC1)C(=O)Cc1cccc2occc12

InChI Key: InChIKey=JMBYBVLCYODBJQ-PQNGQFLHSA-N

Data: 1 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 1 hit for monomerid = 50367937   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50367937 (CHEMBL1202931) Show SMILES CN([C@@H]1CC[C@]2(CCCO2)C[C@H]1N1CCCC1)C(=O)Cc1cccc2occc12 |r| Show InChI InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21-,24-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1				J Med Chem 33: 286-91 (1990) BindingDB Entry DOI: 10.7270/Q2DJ5G7P
					More data for this Ligand-Target Pair