BindingDB logo
myBDB logout

null

SMILES: Fc1cc2Nc3ncccc3CN(C(=O)C3CCN(CC(F)(F)F)CC3)c2cc1N1C[C@@H]2C[C@H]1CO2

InChI Key: InChIKey=IDBXIGIZPJAPHV-ROUUACIJSA-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 = 412536   
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))		BDBM412536
PNG
((8-((1S,4S)-2-oxa-5- azabicyclo[2.2.1]heptan-5-yl)...)
Show SMILES Fc1cc2Nc3ncccc3CN(C(=O)C3CCN(CC(F)(F)F)CC3)c2cc1N1C[C@@H]2C[C@H]1CO2 |r|
Show InChI InChI=1S/C25H27F4N5O2/c26-19-9-20-22(10-21(19)33-12-18-8-17(33)13-36-18)34(11-16-2-1-5-30-23(16)31-20)24(35)15-3-6-32(7-4-15)14-25(27,28)29/h1-2,5,9-10,15,17-18H,3-4,6-8,11-14H2,(H,30,31)/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 27.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...

US Patent US10399972 (2019)


BindingDB Entry DOI: 10.7270/Q2TH8Q2V
More data for this
Ligand-Target Pair