BDBM50535214 CHEMBL4549771

SMILES c1ccc2c(c1)CC(C2)Nc3ncc4c(n3)CCN(C4)CCC(=O)c5ccc6c(c5)OC(=O)N6

InChI Key InChIKey=XQEZVPRVJMIIGM-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50535214   

TargetAutotaxin(Human)
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50535214(CHEMBL4549771)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAutotaxin(Human)
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50535214(CHEMBL4549771)
Affinity DataIC50: 42nMAssay Description:Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)