BindingDB logo
myBDB logout

null

SMILES: [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC(C)C2C3CC4CC2CC(C4)(C3)OC(F)F)c(OCCC(C)C)n1

InChI Key:

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 = 50550443   
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))		BDBM50550443
PNG
(CHEMBL4747823)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC(C)C2C3CC4CC2CC(C4)(C3)OC(F)F)c(OCCC(C)C)n1 |r,wD:1.0,7.9,5.6,TLB:18:20:26.29.27:22.23.24,18:20:24:26.27.28,29:27:20.21.22:24,THB:28:27:20:22.23.24,28:23:20:26.29.27,29:21:24:26.27.28,(8.81,-18.8,;8.58,-17.29,;10.07,-16.9,;10.17,-15.36,;8.74,-14.8,;7.76,-15.99,;6.47,-15.13,;7.05,-17.35,;5.75,-18.18,;5.81,-19.72,;4.38,-17.47,;11.47,-14.54,;11.4,-13,;12.7,-12.17,;14.07,-12.88,;15.36,-12.05,;16.73,-12.77,;15.3,-10.52,;16.58,-9.7,;16.51,-8.18,;17.94,-10.4,;19.41,-9.93,;19.34,-8.36,;20.31,-7.1,;19,-7.63,;19.07,-9.09,;20.41,-9.52,;21.77,-9.12,;21.72,-7.61,;20.83,-10.42,;23.24,-9.5,;24.31,-8.42,;25.79,-8.81,;23.91,-6.95,;14.13,-14.42,;15.5,-15.13,;16.8,-14.3,;18.16,-15.02,;18.23,-16.55,;16.93,-17.38,;19.59,-17.26,;12.83,-15.25,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 860n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay

Citation and Details

BindingDB Entry DOI: 10.7270/Q2G73JBM
More data for this
Ligand-Target Pair