BDBM103575 ATX inhibitor 10 analogue 5::US8551988, 65
SMILES: OB(O)c1cccc(CN2CCN(CC2)C2=NC(=O)\C(S2)=C\c2ccc(Cl)c(Cl)c2)c1
InChI Key: InChIKey=ZCKGWOBAJNWRNC-UNOMPAQXSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM103575 (ATX inhibitor 10 analogue 5 | US8551988, 65) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Inhibition of ATX (unknown origin) expressed in human HEK293 cells using TG-mTMP as substrate after 2 hrs by fluorescence based plate reader assay | J Med Chem 63: 3188-3204 (2020) Article DOI: 10.1021/acs.jmedchem.9b01967 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Autotaxin (mATX) (Mus musculus) | BDBM103575 (ATX inhibitor 10 analogue 5 | US8551988, 65) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo | ACS Chem Biol 8: 1713-21 (2013) Article DOI: 10.1021/cb400150c BindingDB Entry DOI: 10.7270/Q29022DC | ||||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |