BDBM50099647 CHEMBL3359807

SMILES: [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1-c1cccc(N)c1)C(=O)OC

InChI Key: InChIKey=CXZCKQKRGGTZBF-MGRBCCQOSA-N

Data: 1 EC50

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 = 50099647   

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))	BDBM50099647 (CHEMBL3359807) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1-c1cccc(N)c1)C(=O)OC |r| Show InChI InChI=1S/C29H33NO8/c1-15(31)37-21-13-20(26(33)35-4)28(2)10-8-19-27(34)38-22(14-29(19,3)25(28)23(21)32)18-9-11-36-24(18)16-6-5-7-17(30)12-16/h5-7,9,11-12,19-22,25H,8,10,13-14,30H2,1-4H3/t19-,20-,21-,22-,25-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	630	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assa...				J Med Chem 57: 10464-75 (2014) Article DOI: 10.1021/jm501521d BindingDB Entry DOI: 10.7270/Q2J38V6P
					More data for this Ligand-Target Pair