BDBM50300208 2-(4-{[(4-Trifluoromethylphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid::CHEMBL570823
SMILES: CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(cc1)C(F)(F)F
InChI Key: InChIKey=DEKWQMMVPGEFFP-UHFFFAOYSA-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)) | BDBM50300208 (2-(4-{[(4-Trifluoromethylphenyl)amino]carbonothioy...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Memphis Curated by ChEMBL | Assay Description Noncompetitive type inhibition of human autotaxin at enzyme-substrate complex isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hy... | J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50300208 (2-(4-{[(4-Trifluoromethylphenyl)amino]carbonothioy...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Memphis Curated by ChEMBL | Assay Description Noncompetitive type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FR... | J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50300208 (2-(4-{[(4-Trifluoromethylphenyl)amino]carbonothioy...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Memphis Curated by ChEMBL | Assay Description Inhibition of C-terminal FLAG tagged human recombinant ATX expressed in insect sf9 cells using FS-3 as substrate measured every 2 mins for 60 mins by... | Bioorg Med Chem 24: 4660-4674 (2016) Article DOI: 10.1016/j.bmc.2016.08.004 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50300208 (2-(4-{[(4-Trifluoromethylphenyl)amino]carbonothioy...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Memphis Curated by ChEMBL | Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay | J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN | |||||||||||
More data for this Ligand-Target Pair |