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SMILES: CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)-c1cnn(C)c1

InChI Key: InChIKey=CRIJWPATAQSMQE-NZQKXSOJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 415992   
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))		BDBM415992
PNG
(((2R,5S)-5- isopropoxytetrahydro- 2H-pyran-2-yl)(8...)
Show SMILES CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C25H29N5O3/c1-16(2)33-20-7-9-23(32-15-20)25(31)30-14-18-5-4-10-26-24(18)28-21-8-6-17(11-22(21)30)19-12-27-29(3)13-19/h4-6,8,10-13,16,20,23H,7,9,14-15H2,1-3H3,(H,26,28)/t20-,23+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/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