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BDBM50194403 (9H-fluoren-9-ylmethoxycarbonylamino)-acetic acid (3S,4aR,4bS,6S,8R,8aS,10aR)-6-acetoxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthren-8-ylmethyl ester::CHEMBL415642

SMILES: CC(=O)O[C@H]1C[C@@H](COC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc23)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1

InChI Key: InChIKey=KJOANZNFLRTLOF-NOOCESJUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50194403   
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))		BDBM50194403
PNG
((9H-fluoren-9-ylmethoxycarbonylamino)-acetic acid ...)
Show SMILES CC(=O)O[C@H]1C[C@@H](COC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc23)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C39H41NO10/c1-22(41)49-31-16-24(38(2)14-12-30-36(44)50-32(23-13-15-46-19-23)17-39(30,3)35(38)34(31)43)20-47-33(42)18-40-37(45)48-21-29-27-10-6-4-8-25(27)26-9-5-7-11-28(26)29/h4-11,13,15,19,24,29-32,35H,12,14,16-18,20-21H2,1-3H3,(H,40,45)/t24-,30-,31-,32-,35-,38-,39-/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