BDBM50189135 (2S,4aR,6aS,7R,9S,10aS)-7-((ethylamino)methyl)-2-(furan-3-yl)-6a,10b-dimethyl-5,10-dioxo-dodecahydro-1H-benzo[f]isochromen-9-yl acetate::CHEMBL378716

SMILES: CCNC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@H]1CO[C@@H](CC21C)c1ccoc1

InChI Key: InChIKey=OAHYMFUZPDTHKL-MJIKBLNVSA-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 = 50189135   

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 (Homo sapiens (Human))	BDBM50189135 ((2S,4aR,6aS,7R,9S,10aS)-7-((ethylamino)methyl)-2-(...) Show SMILES CCNC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@H]1CO[C@@H](CC21C)c1ccoc1 Show InChI InChI=1S/C24H33NO6/c1-5-25-11-16-8-19(31-14(2)26)21(28)22-23(16,3)9-18(27)17-13-30-20(10-24(17,22)4)15-6-7-29-12-15/h6-7,12,16-17,19-20,22,25H,5,8-11,13H2,1-4H3/t16-,17+,19-,20-,22-,23-,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair