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BDBM50194399 (2S,4aR,6aS,7R,9S,10aS,10bR)-7-(allyloxymethyl)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromen-9-yl acetate::CHEMBL376212

SMILES: CC(=O)O[C@H]1C[C@@H](COCC=C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1

InChI Key: InChIKey=QCUHVOOYKOXPNN-RKFNIUNESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50194399   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50194399
PNG
((2S,4aR,6aS,7R,9S,10aS,10bR)-7-(allyloxymethyl)-2-...)
Show SMILES CC(=O)O[C@H]1C[C@@H](COCC=C)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H32O7/c1-5-9-29-14-17-11-19(31-15(2)26)21(27)22-24(17,3)8-6-18-23(28)32-20(12-25(18,22)4)16-7-10-30-13-16/h5,7,10,13,17-20,22H,1,6,8-9,11-12,14H2,2-4H3/t17-,18-,19-,20-,22-,24-,25-/m0/s1
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine binding from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5498-502 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.051
BindingDB Entry DOI: 10.7270/Q2QN66CC
More data for this
Ligand-Target Pair