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BDBM50383015 CHEMBL2031263

SMILES: COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1

InChI Key: InChIKey=UYGWJHNCQVCGDK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383015   
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
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50383015
PNG
(CHEMBL2031263)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C31H28FN3O5S/c1-18-5-14-24(33-31(41)35-30(37)22-15-26(38-2)28(40-4)27(16-22)39-3)17-25(18)34-29(36)21-8-6-19(7-9-21)20-10-12-23(32)13-11-20/h5-17H,1-4H3,(H,34,36)(H2,33,35,37,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay


J Med Chem 55: 1559-71 (2012)


Article DOI: 10.1021/jm2013369
BindingDB Entry DOI: 10.7270/Q24B32BR
More data for this
Ligand-Target Pair