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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50522371'   
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)		BDBM50522371
PNG
(CHEMBL4565311)
Show SMILES C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccc3O)cc2)O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C34H33Cl2N3O5/c1-34(30-15-6-23(35)20-31(30)36)43-22-28(44-34)21-42-27-13-11-26(12-14-27)39-18-16-38(17-19-39)25-9-7-24(8-10-25)37-33(41)29-4-2-3-5-32(29)40/h2-15,20,28,40H,16-19,21-22H2,1H3,(H,37,41)/t28-,34-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method

J Med Chem 62: 3873-3885 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01283
BindingDB Entry DOI: 10.7270/Q2NC64M9
More data for this
Ligand-Target Pair