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BDBM50173264 CHEMBL197942::methyl 2-[1'-[4-(tert-butyl)cyclohexylmethyl]-2-oxospiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]acetate

SMILES: COC(=O)CN1C(=O)C2(CCN(CC3CCC(CC3)C(C)(C)C)CC2)c2ccccc12

InChI Key: InChIKey=ISWDRBUVUQZOPW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50173264   
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
Nociceptin receptor


(Homo sapiens (Human))		BDBM50173264
PNG
(CHEMBL197942 | methyl 2-[1'-[4-(tert-butyl)cyclohe...)
Show SMILES COC(=O)CN1C(=O)C2(CCN(CC3CCC(CC3)C(C)(C)C)CC2)c2ccccc12 |(5.06,2.61,;3.55,2.29,;2.53,3.43,;2.99,4.89,;1.03,3.1,;.54,1.65,;1.45,.39,;2.99,.39,;.54,-.87,;2.06,-1.17,;2.53,-2.64,;1.5,-3.79,;1.97,-5.26,;.92,-6.4,;-.58,-6.07,;-1.6,-7.19,;-1.14,-8.66,;.36,-9.01,;1.41,-7.86,;-2.19,-9.81,;-1.07,-10.88,;-3.28,-8.73,;-3.28,-10.9,;-.02,-3.46,;-.48,-2.01,;-.93,-.38,;-2.26,-1.15,;-3.59,-.38,;-3.59,1.16,;-2.26,1.93,;-.93,1.16,)|
Show InChI InChI=1S/C26H38N2O3/c1-25(2,3)20-11-9-19(10-12-20)17-27-15-13-26(14-16-27)21-7-5-6-8-22(21)28(24(26)30)18-23(29)31-4/h5-8,19-20H,9-18H2,1-4H3
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity determined by the ability to compete with [125I]-Tyr14- nociceptin from binding to human opiate receptor-like 1 expressed in HEK293 ...

Bioorg Med Chem Lett 15: 5022-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.009
BindingDB Entry DOI: 10.7270/Q2RF5TKC
More data for this
Ligand-Target Pair