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SMILES: CN(Cc1ccc(C#N)c(Cl)c1)C(=O)Cn1cnc2ccc(cc2c1=O)C1CCN(CC1)C(=O)C1CCC1

InChI Key: InChIKey=MYCDXGPBQLUZDK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 450553   
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))		BDBM450553
PNG
(N-[(3-Chloro-4- cyanophenyl)methyl]-N- methyl-2-(4...)
Show SMILES CN(Cc1ccc(C#N)c(Cl)c1)C(=O)Cn1cnc2ccc(cc2c1=O)C1CCN(CC1)C(=O)C1CCC1
Show InChI InChI=1S/C29H30ClN5O3/c1-33(16-19-5-6-23(15-31)25(30)13-19)27(36)17-35-18-32-26-8-7-22(14-24(26)29(35)38)20-9-11-34(12-10-20)28(37)21-3-2-4-21/h5-8,13-14,18,20-21H,2-4,9-12,16-17H2,1H3
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