BDBM50316087 7-[(4-{[4-({4-[(6,8-disulfonaphthalen-2-yl)carbamoyl]phenyl}amino)-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl]amino}benzene)amido]naphthalene-1,3-disulfonic acid::CHEMBL1091758
SMILES: OC1=C(Nc2ccc(cc2)C(=O)Nc2ccc3cc(cc(c3c2)S(O)(=O)=O)S(O)(=O)=O)C(=O)C(O)=C(Nc2ccc(cc2)C(=O)Nc2ccc3cc(cc(c3c2)S(O)(=O)=O)S(O)(=O)=O)C1=O
InChI Key: InChIKey=JWNQXDAUKNXZSW-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)) | BDBM50316087 (7-[(4-{[4-({4-[(6,8-disulfonaphthalen-2-yl)carbamo...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.14E+3 | 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 Competitive inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis ... | J Med Chem 53: 3095-105 (2010) Article DOI: 10.1021/jm901718z BindingDB Entry DOI: 10.7270/Q2QZ2BXS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50316087 (7-[(4-{[4-({4-[(6,8-disulfonaphthalen-2-yl)carbamo...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 805 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Memphis Curated by ChEMBL | Assay Description Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis | J Med Chem 53: 3095-105 (2010) Article DOI: 10.1021/jm901718z BindingDB Entry DOI: 10.7270/Q2QZ2BXS | |||||||||||
More data for this Ligand-Target Pair |