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SMILES: Fc1cc2Nc3ncccc3CN(C(=O)C3CCN(CC(F)(F)F)CC3)c2cc1N1[C@@H]2CO[C@@H]3[C@H]1CO[C@H]23

InChI Key: InChIKey=WQNCIVIJMJWPQD-SSGKUCQKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 412537   
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))		BDBM412537
PNG
((9-fluoro-8-((3R,3aR,6R,6aR)- hexahydro-3,6-epimin...)
Show SMILES Fc1cc2Nc3ncccc3CN(C(=O)C3CCN(CC(F)(F)F)CC3)c2cc1N1[C@@H]2CO[C@@H]3[C@H]1CO[C@H]23 |r,THB:36:37:32.31:34.29|
Show InChI InChI=1S/C26H27F4N5O3/c27-16-8-17-19(9-18(16)35-20-11-37-23-21(35)12-38-22(20)23)34(10-15-2-1-5-31-24(15)32-17)25(36)14-3-6-33(7-4-14)13-26(28,29)30/h1-2,5,8-9,14,20-23H,3-4,6-7,10-13H2,(H,31,32)/t20-,21-,22-,23-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 27.6n/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