BindingDB logo
myBDB logout

null

SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCCNC(=O)OCc1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=UUOQGZPNUGPHTJ-WSAKDWFLSA-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 = 50501629   
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))		BDBM50501629
PNG
(CHEMBL4070768)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCCNC(=O)OCc1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C35H52Cl2N2O5/c1-21(5-8-31(42)38-13-4-14-39-33(43)44-20-22-15-24(36)19-25(37)16-22)27-6-7-28-32-29(10-12-35(27,28)3)34(2)11-9-26(40)17-23(34)18-30(32)41/h15-16,19,21,23,26-30,32,40-41H,4-14,17-18,20H2,1-3H3,(H,38,42)(H,39,43)/t21-,23+,26-,27-,28+,29+,30+,32+,34+,35-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 563n/an/an/an/an/an/a



The Netherlands Institute

Curated by ChEMBL


Assay Description
Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...

J Med Chem 60: 2006-2017 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01743
BindingDB Entry DOI: 10.7270/Q22F7RGR
More data for this
Ligand-Target Pair