BindingDB logo
myBDB logout

BDBM50200494 CHEMBL3980443

SMILES: [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2o1

InChI Key: InChIKey=RGHIUACNCDFLPP-MDYRTPRTSA-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 = 50200494   
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)		BDBM50200494
PNG
(CHEMBL3980443)
Show SMILES [H][C@]1(CC[C@@H](C)c2ccc(C)nc12)[C@@H](C)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C27H26ClN3O2/c1-15-8-11-20(25-19(15)12-9-16(2)29-25)17(3)26(32)30-18-10-13-22(28)21(14-18)27-31-23-6-4-5-7-24(23)33-27/h4-7,9-10,12-15,17,20H,8,11H2,1-3H3,(H,30,32)/t15-,17-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 243n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay

J Med Chem 59: 11050-11068 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01247
BindingDB Entry DOI: 10.7270/Q2TQ63G3
More data for this
Ligand-Target Pair