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SMILES: CC(=O)O[C@H]1C[C@@H](C(=O)NC(Cc2cnc[nH]2)C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1

InChI Key: InChIKey=BHUGIDDSHPXNIZ-NZYPNPRSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50171178   
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))		BDBM50171178
PNG
(2-[((1R,2R,4bR,8S,9S,10R)-6-Acetoxy-3-(S)-furan-3-...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NC(Cc2cnc[nH]2)C(=O)OCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C35H39N3O9/c1-20(39)46-27-14-25(31(41)38-26(13-23-16-36-19-37-23)33(43)45-17-21-7-5-4-6-8-21)34(2)11-9-24-32(42)47-28(22-10-12-44-18-22)15-35(24,3)30(34)29(27)40/h4-8,10,12,16,18-19,24-28,30H,9,11,13-15,17H2,1-3H3,(H,36,37)(H,38,41)/t24-,25-,26?,27-,28-,30-,34-,35-/m0/s1
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair