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SMILES: CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cc(F)cnc2Nc2ccc(cc12)N1CC2COCC(C1)O2

InChI Key: InChIKey=WWEWVBNBHUZXEY-AENCRQEPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 412550   
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))		BDBM412550
PNG
((8-((1R,5S)-3,9-dioxa-7- azabicyclo[3.3.1]nonan-7-...)
Show SMILES CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cc(F)cnc2Nc2ccc(cc12)N1CC2COCC(C1)O2 |r,TLB:25:28:31.32.33:36|
Show InChI InChI=1S/C27H33FN4O5/c1-16(2)36-20-4-6-25(35-15-20)27(33)32-10-17-7-18(28)9-29-26(17)30-23-5-3-19(8-24(23)32)31-11-21-13-34-14-22(12-31)37-21/h3,5,7-9,16,20-22,25H,4,6,10-15H2,1-2H3,(H,29,30)/t20-,21?,22?,25+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 21n/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