BindingDB logo
myBDB logout

null

SMILES: COc1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N

InChI Key: InChIKey=AFFQZAUKAFCUFK-UHFFFAOYSA-N

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 = 375206   
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 [R132H]


(Homo sapiens (Human))		BDBM375206
PNG
(6-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...)
Show SMILES COc1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C17H13ClN4O2/c1-24-17-10(8-19)2-5-15(22-17)20-9-12-6-11-7-13(18)3-4-14(11)21-16(12)23/h2-7H,9H2,1H3,(H,20,22)(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Vanderbilt University School of Medicine



Assay Description
Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...

Proc Natl Acad Sci U S A 97: 925-30 (2000)


BindingDB Entry DOI: 10.7270/Q23F4S02
More data for this
Ligand-Target Pair