BindingDB logo
myBDB logout

BDBM363015 3-((6-Chloro-7-fluoro-2-methyl-1-(2-(5-methylindolin-1-yl)-2-oxoethyl)-1H-indol-3-yl)thio)benzoic acid ::US9850203, Compound 1-92

SMILES: Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCc2cc(C)ccc12

InChI Key: InChIKey=UIRIJEJTCXRCSM-UHFFFAOYSA-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 = 363015   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM363015
PNG
(3-((6-Chloro-7-fluoro-2-methyl-1-(2-(5-methylindol...)
Show SMILES Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)c(F)c2n1CC(=O)N1CCc2cc(C)ccc12
Show InChI InChI=1S/C27H22ClFN2O3S/c1-15-6-9-22-17(12-15)10-11-30(22)23(32)14-31-16(2)26(20-7-8-21(28)24(29)25(20)31)35-19-5-3-4-18(13-19)27(33)34/h3-9,12-13H,10-11,14H2,1-2H3,(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



PharmAkea Inc

US Patent


Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


US Patent US9850203 (2017)


BindingDB Entry DOI: 10.7270/Q2RR21JC
More data for this
Ligand-Target Pair