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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM412558'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM412558
PNG
((8-((1S,4S)-2-oxa-5- azabicyclo[2.2.2]octan-5-yl)-...)
Show SMILES CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cc(F)cnc2Nc2ccc(cc12)N1C[C@@H]2CC[C@H]1CO2 |r|
Show InChI InChI=1S/C27H33FN4O4/c1-16(2)36-22-6-8-25(35-15-22)27(33)32-12-17-9-18(28)11-29-26(17)30-23-7-4-19(10-24(23)32)31-13-21-5-3-20(31)14-34-21/h4,7,9-11,16,20-22,25H,3,5-6,8,12-15H2,1-2H3,(H,29,30)/t20-,21-,22-,25+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 12n/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