BDBM50325528 CHEMBL1223831

SMILES: Cn1c(\C=C\C(=O)c2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56

InChI Key: InChIKey=QMCFOCBLALARSQ-UPHKCQIQSA-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 = 50325528   

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))	BDBM50325528 (CHEMBL1223831) Show SMILES Cn1c(\C=C\C(=O)c2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r| Show InChI InChI=1S/C32H32N2O4/c1-33-23(10-12-24(35)20-5-3-2-4-6-20)15-22-17-32(37)26-16-21-9-11-25(36)29-27(21)31(32,30(38-29)28(22)33)13-14-34(26)18-19-7-8-19/h2-6,9-12,15,19,26,30,36-37H,7-8,13-14,16-18H2,1H3/b12-10+/t26-,30+,31+,32-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.467	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)	BDBM50325528 (CHEMBL1223831) Show SMILES Cn1c(\C=C\C(=O)c2ccccc2)cc2C[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r| Show InChI InChI=1S/C32H32N2O4/c1-33-23(10-12-24(35)20-5-3-2-4-6-20)15-22-17-32(37)26-16-21-9-11-25(36)29-27(21)31(32,30(38-29)28(22)33)13-14-34(26)18-19-7-8-19/h2-6,9-12,15,19,26,30,36-37H,7-8,13-14,16-18H2,1H3/b12-10+/t26-,30+,31+,32-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.76	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