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BDBM50392957 CHEMBL2152357

SMILES: Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccccc2)cc1

InChI Key: InChIKey=KADPCUBFZUHNFS-BQIDRLATSA-N

Data: 1 IC50

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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 = 50392957   
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


(Mus musculus)		BDBM50392957
PNG
(CHEMBL2152357)
Show SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)N[C@@H](COC2=O)c2ccccc2)cc1 |r,t:12|
Show InChI InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-24(30)15-20-9-5-2-6-10-23(29)28-22(17-32-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,30)(H,28,29)/b5-2+/t20-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase repo...

ACS Med Chem Lett 3: 808-813 (2012)


Article DOI: 10.1021/ml300172p
BindingDB Entry DOI: 10.7270/Q26111D0
More data for this
Ligand-Target Pair