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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50385636'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Smoothened homolog


(Mus musculus)
BDBM50385636
PNG
(CHEMBL2043429)
Show SMILES CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C20H23N5O/c1-25-12-11-15(22-20(26)21-14-7-3-2-4-8-14)13-18(25)19-23-16-9-5-6-10-17(16)24-19/h2-10,15,18H,11-13H2,1H3,(H,23,24)(H2,21,22,26)/t15-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 103n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hr...


ACS Med Chem Lett 3: 106-111 (2012)


Article DOI: 10.1021/ml2002423
BindingDB Entry DOI: 10.7270/Q2W096Z4
More data for this
Ligand-Target Pair