BDBM50501623 CHEMBL4062929

SMILES C[C@H](CCC(=O)N[C@@H]1CCN(C1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C

InChI Key InChIKey=ZEXNABOXYLWWLJ-UHFFFAOYSA-N

Data  1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50501623   

TargetAutotaxin(Human)
The Netherlands Institute

Curated by ChEMBL
LigandPNGBDBM50501623(CHEMBL4062929)
Affinity DataIC50: 20nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAutotaxin(Rat)
University of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50501623(CHEMBL4062929)
Affinity DataIC50: 20nMAssay Description:Inhibition of rat ATX lysoPLD activity using LPC as substrate assessed as reduction in choline release measured after 60 mins by HVA fluorescence bas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAutotaxin(Human)
The Netherlands Institute

Curated by ChEMBL
LigandPNGBDBM50501623(CHEMBL4062929)
Affinity DataKi:  6nMAssay Description:Competitive inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in LPC hydrolysis measured every 30 secs for 90 mins by Lin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)