BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM412539'   
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))		BDBM412539
PNG
((3,9-difluoro-8-((1R,3r,5S)-3- methoxy-8- azabicyc...)
Show SMILES CO[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cc2N(Cc3cc(F)cnc3Nc2cc1F)C(=O)C1CCN(CC(F)(F)F)CC1 |r,THB:10:9:8.2.3:6.5|
Show InChI InChI=1S/C28H32F5N5O2/c1-40-21-9-19-2-3-20(10-21)38(19)24-12-25-23(11-22(24)30)35-26-17(8-18(29)13-34-26)14-37(25)27(39)16-4-6-36(7-5-16)15-28(31,32)33/h8,11-13,16,19-21H,2-7,9-10,14-15H2,1H3,(H,34,35)/t19-,20+,21+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 14.1n/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