BindingDB logo
myBDB logout

BDBM50522382 CHEMBL4450586

SMILES: CC(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](C)(O2)c2ccc(Cl)cc2Cl)cc1

InChI Key: InChIKey=CZRAKZRYPDKNPT-KUFVUHJUSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50522382   
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)		BDBM50522382
PNG
(CHEMBL4450586)
Show SMILES CC(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](C)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C36H35Cl2N3O5/c1-24(42)25-4-3-5-26(20-25)35(43)39-28-7-9-29(10-8-28)40-16-18-41(19-17-40)30-11-13-31(14-12-30)44-22-32-23-45-36(2,46-32)33-15-6-27(37)21-34(33)38/h3-15,20-21,32H,16-19,22-23H2,1-2H3,(H,39,43)/t32-,36+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 89n/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