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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50522381'   
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)		BDBM50522381
PNG
(CHEMBL4466705)
Show SMILES C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccsc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C32H31Cl2N3O4S/c1-32(29-11-2-23(33)18-30(29)34)40-20-28(41-32)19-39-27-9-7-26(8-10-27)37-15-13-36(14-16-37)25-5-3-24(4-6-25)35-31(38)22-12-17-42-21-22/h2-12,17-18,21,28H,13-16,19-20H2,1H3,(H,35,38)/t28-,32+/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