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BDBM50522389 CHEMBL4438128

SMILES: C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccc3)cc2)O1)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=IQHGTZZYPQNIJU-HKFHRXRESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50522389   
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)		BDBM50522389
PNG
(CHEMBL4438128)
Show SMILES C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3ccccc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C34H33Cl2N3O4/c1-34(31-16-7-25(35)21-32(31)36)42-23-30(43-34)22-41-29-14-12-28(13-15-29)39-19-17-38(18-20-39)27-10-8-26(9-11-27)37-33(40)24-5-3-2-4-6-24/h2-16,21,30H,17-20,22-23H2,1H3,(H,37,40)/t30-,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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
More data for this
Ligand-Target Pair