BindingDB logo
myBDB logout

BDBM50522393 CHEMBL4572598

SMILES: C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3cccc(O)c3)cc2)O1)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=BHQZXBHEQADRKL-HKFHRXRESA-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 = 50522393   
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)		BDBM50522393
PNG
(CHEMBL4572598)
Show SMILES C[C@@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3cccc(O)c3)cc2)O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C34H33Cl2N3O5/c1-34(31-14-5-24(35)20-32(31)36)43-22-30(44-34)21-42-29-12-10-27(11-13-29)39-17-15-38(16-18-39)26-8-6-25(7-9-26)37-33(41)23-3-2-4-28(40)19-23/h2-14,19-20,30,40H,15-18,21-22H2,1H3,(H,37,41)/t30-,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/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