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SMILES: CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccccc1OC

InChI Key: InChIKey=WATNXVHKRRTUFK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50480723   
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
Smoothened homolog


(Homo sapiens (Human))		BDBM50480723
PNG
(CHEMBL561533)
Show SMILES CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccccc1OC
Show InChI InChI=1S/C23H29N3O2/c1-4-8-18(9-5-2)23(27)24-15-17-12-13-20-19(14-17)16-25-26(20)21-10-6-7-11-22(21)28-3/h6-7,10-14,16,18H,4-5,8-9,15H2,1-3H3,(H,24,27)
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n/an/a 5n/an/an/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS

Bioorg Med Chem Lett 19: 4191-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.112
BindingDB Entry DOI: 10.7270/Q2WW7MJX
More data for this
Ligand-Target Pair