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SMILES: CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)C1CCN(C1)C(=O)OC(C)(C)C

InChI Key: InChIKey=AUXMQHUIOFHGKS-ITHYLLKYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 415809   
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))		BDBM415809
PNG
(US10442819, Example 49 | tert-butyl 3-(6-((2R,5S)-...)
Show SMILES CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)C1CCN(C1)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C30H40N4O5/c1-19(2)38-23-9-11-26(37-18-23)28(35)34-17-22-7-6-13-31-27(22)32-24-10-8-20(15-25(24)34)21-12-14-33(16-21)29(36)39-30(3,4)5/h6-8,10,13,15,19,21,23,26H,9,11-12,14,16-18H2,1-5H3,(H,31,32)/t21?,23-,26+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 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 US10442819 (2019)


BindingDB Entry DOI: 10.7270/Q2HQ428F
More data for this
Ligand-Target Pair