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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50522374'   
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)		BDBM50522374
PNG
(CHEMBL4471156)
Show SMILES C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(N)cc2)O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C27H29Cl2N3O3/c1-27(25-11-2-19(28)16-26(25)29)34-18-24(35-27)17-33-23-9-7-22(8-10-23)32-14-12-31(13-15-32)21-5-3-20(30)4-6-21/h2-11,16,24H,12-15,17-18,30H2,1H3/t24-,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 920n/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