BDBM50325526 CHEMBL1223773

SMILES: Cn1c(C=CC(=O)CCc2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56

InChI Key: InChIKey=KZYWRUBRYYIVAN-XZLGBSMGSA-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 = 50325526   

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))	BDBM50325526 (CHEMBL1223773) Show SMILES Cn1c(C=CC(=O)CCc2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,w:3.2| Show InChI InChI=1S/C34H36N2O4/c1-35-25(11-13-26(37)12-9-21-5-3-2-4-6-21)17-24-19-34(39)28-18-23-10-14-27(38)31-29(23)33(34,32(40-31)30(24)35)15-16-36(28)20-22-7-8-22/h2-6,10-11,13-14,17,22,28,32,38-39H,7-9,12,15-16,18-20H2,1H3/t28-,32+,33+,34-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.935	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum				Bioorg Med Chem Lett 20: 5035-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.035 BindingDB Entry DOI: 10.7270/Q2CJ8DPH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50325526 (CHEMBL1223773) Show SMILES Cn1c(C=CC(=O)CCc2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,w:3.2| Show InChI InChI=1S/C34H36N2O4/c1-35-25(11-13-26(37)12-9-21-5-3-2-4-6-21)17-24-19-34(39)28-18-23-10-14-27(38)31-29(23)33(34,32(40-31)30(24)35)15-16-36(28)20-22-7-8-22/h2-6,10-11,13-14,17,22,28,32,38-39H,7-9,12,15-16,18-20H2,1H3/t28-,32+,33+,34-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain				Bioorg Med Chem Lett 20: 5035-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.035 BindingDB Entry DOI: 10.7270/Q2CJ8DPH
					More data for this Ligand-Target Pair