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BDBM50392954 CHEMBL2152354

SMILES: C[C@@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)O[C@@H]1c1ccccc1

InChI Key: InChIKey=VKORJMZWMJAINW-UBPWRAOESA-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 = 50392954   
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)		BDBM50392954
PNG
(CHEMBL2152354)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)O[C@@H]1c1ccccc1 |r,t:20|
Show InChI InChI=1S/C26H29ClN2O4/c1-18-25(20-8-4-2-5-9-20)33-24(31)11-7-3-6-10-21(26(32)29-18)16-23(30)28-17-19-12-14-22(27)15-13-19/h2-6,8-9,12-15,18,21,25H,7,10-11,16-17H2,1H3,(H,28,30)(H,29,32)/b6-3+/t18-,21-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.50E+4n/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