new BindingDB logo
myBDB logout

BDBM50111976 CHEMBL3605396

SMILES: COc1cc(\C=C2\NC(=S)N(C)C2=O)ccn1

InChI Key: InChIKey=FOAMOVZERQGUCL-VMPITWQZSA-N

Data: 1 KI

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 = 50111976   
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))
BDBM50111976
PNG
(CHEMBL3605396)
Show SMILES COc1cc(\C=C2\NC(=S)N(C)C2=O)ccn1
Show InChI InChI=1S/C11H11N3O2S/c1-14-10(15)8(13-11(14)17)5-7-3-4-12-9(6-7)16-2/h3-6H,1-2H3,(H,13,17)/b8-5+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2.60E+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