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SMILES: C[C@@H](O)C(=O)N1CCC(CC1)c1ccc2ncn(CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1

InChI Key: InChIKey=WWDVGBKAGPIUKU-MRXNPFEDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 450590   
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))		BDBM450590
PNG
(N-[(3,4- Dichlorophenyl)methyl]-N- methyl-2-(4-oxo...)
Show SMILES C[C@@H](O)C(=O)N1CCC(CC1)c1ccc2ncn(CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-16(33)25(35)31-9-7-18(8-10-31)19-4-6-23-20(12-19)26(36)32(15-29-23)14-24(34)30(2)13-17-3-5-21(27)22(28)11-17/h3-6,11-12,15-16,18,33H,7-10,13-14H2,1-2H3/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US10676446 (2020)


BindingDB Entry DOI: 10.7270/Q2445QJ0
More data for this
Ligand-Target Pair