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BDBM50522399 CHEMBL4456292

SMILES: COc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](C)(O2)c2ccc(Cl)cc2Cl)cc1

InChI Key: InChIKey=NQRIIPNJULINMV-NQVJXQQZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50522399   
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)		BDBM50522399
PNG
(CHEMBL4456292)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](C)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C35H35Cl2N3O5/c1-35(32-15-6-25(36)21-33(32)37)44-23-31(45-35)22-43-29-13-11-28(12-14-29)40-18-16-39(17-19-40)27-9-7-26(8-10-27)38-34(41)24-4-3-5-30(20-24)42-2/h3-15,20-21,31H,16-19,22-23H2,1-2H3,(H,38,41)/t31-,35+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70E+3n/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
More data for this
Ligand-Target Pair