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SMILES: CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@@H](C2)[N+]#[C-])CC1

InChI Key: InChIKey=JHNHKJHJWBGMDB-VWLOTQADSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 192620   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM192620
PNG
(US9670204, 116 (S)-1-(2-(4-(2-ethyl-3-((4-(4-fluor...)
Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@@H](C2)[N+]#[C-])CC1 |r|
Show InChI InChI=1S/C31H34FN7OS/c1-4-26-30(36(3)31-35-27(20-41-31)22-5-8-24(32)9-6-22)39-17-23(7-10-28(39)34-26)21-11-14-37(15-12-21)19-29(40)38-16-13-25(18-38)33-2/h5-10,17,20-21,25H,4,11-16,18-19H2,1,3H3/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/a8.525



GALAPAGOS NV

US Patent


Assay Description
Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate. 5 μL of a di...

US Patent US9670204 (2017)


BindingDB Entry DOI: 10.7270/Q2W66HZS
More data for this
Ligand-Target Pair