BindingDB logo
myBDB logout

BDBM50522377 CHEMBL4571341

SMILES: C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3cccnc3)cc2)O1)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=AOCSOWXEGDBAIH-CYTLCNBWSA-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 = 50522377   
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)		BDBM50522377
PNG
(CHEMBL4571341)
Show SMILES C[C@]1(OC[C@@H](COc2ccc(cc2)N2CCN(CC2)c2ccc(NC(=O)c3cccnc3)cc2)O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C33H32Cl2N4O4/c1-33(30-13-4-24(34)19-31(30)35)42-22-29(43-33)21-41-28-11-9-27(10-12-28)39-17-15-38(16-18-39)26-7-5-25(6-8-26)37-32(40)23-3-2-14-36-20-23/h2-14,19-20,29H,15-18,21-22H2,1H3,(H,37,40)/t29-,33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30E+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