null
SMILES: CN(Cc1ccccc1)C(=O)c1[nH]c(nc1C(O)=O)-c1cccc(Cl)c1
InChI Key: InChIKey=BSLQMHNPFUHRKP-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
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)) | BDBM50329874 (4-(benzyl(methyl)carbamoyl)-2-(3-chlorophenyl)-1H-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 2.00E+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) |