BDBM50274402 (2E)-N-[(5R,6R)-4,5-Epoxy-3,14-dihydroxy-17-methylmorphinan-6-yl]-3-(furan-3-yl)-N-methylprop-2-enamide::CHEMBL485554

SMILES: CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45)C(=O)\C=C\c1ccoc1

InChI Key: InChIKey=PPDFJRNKNGMZKI-SCKIEVSZSA-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 = 50274402   

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 (Mus musculus (Mouse))	BDBM50274402 ((2E)-N-[(5R,6R)-4,5-Epoxy-3,14-dihydroxy-17-methyl...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45)C(=O)\C=C\c1ccoc1 |r,TLB:4:5:9.22.8:18.20.19,THB:6:5:9.22.8:18.20.19| Show InChI InChI=1S/C25H28N2O5/c1-26-11-10-24-21-16-4-5-18(28)22(21)32-23(24)17(7-9-25(24,30)19(26)13-16)27(2)20(29)6-3-15-8-12-31-14-15/h3-6,8,12,14,17,19,23,28,30H,7,9-11,13H2,1-2H3/b6-3+/t17-,19-,23+,24+,25-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction				Bioorg Med Chem 16: 9188-201 (2008) Article DOI: 10.1016/j.bmc.2008.09.011 BindingDB Entry DOI: 10.7270/Q2736RVD
					More data for this Ligand-Target Pair