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BDBM50111790 CHEMBL3605378

SMILES: O=C1N(Cc2ccccc2)C(=S)N\C1=C\c1ccc(=O)[nH]c1

InChI Key: InChIKey=LQWCJMDLDMFDCF-XKXSSWDPSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111790   
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
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM50111790
PNG
(CHEMBL3605378)
Show SMILES O=C1N(Cc2ccccc2)C(=S)N\C1=C\c1ccc(=O)[nH]c1
Show InChI InChI=1S/C22H38N4O8/c1-2-3-4-5-6-8-24-12-16(34-21-19(30)18(29)15(11-23)33-21)14-10-13(27)20(32-14)26-9-7-17(28)25-22(26)31/h7,9,13-16,18-21,24,27,29-30H,2-6,8,10-12,23H2,1H3,(H,25,28,31)/t13-,14+,15-,16+,18-,19-,20-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.80E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...


J Med Chem 58: 6899-908 (2015)


BindingDB Entry DOI: 10.7270/Q2M61N2D
More data for this
Ligand-Target Pair