BDBM50329852 2-phenyl-1H-imidazole-4,5-dicarboxylic acid::CHEMBL1230276
SMILES: OC(=O)c1nc([nH]c1C(O)=O)-c1ccccc1
InChI Key: InChIKey=GTYWKHXMYZVFSU-UHFFFAOYSA-N
Data: 1 IC50 1 Kd
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50329852 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 |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329852
(2-phenyl-1H-imidazole-4,5-dicarboxylic acid | CHEM...)Show InChI InChI=1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description Inhibition of Pin1 by PIn1 PPIase assay |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329852
(2-phenyl-1H-imidazole-4,5-dicarboxylic acid | CHEM...)Show InChI InChI=1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description Binding affinity to Pin1 by isothermal calorimetry |
Bioorg Med Chem Lett 20: 6483-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |