BDBM50329855 2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidazole-5-carboxylic acid::CHEMBL1272192
SMILES: OC(=O)c1nc([nH]c1C(=O)N(Cc1ccccc1)Cc1ccccc1)-c1cccc(Cl)c1
InChI Key: InChIKey=CDGNCNLGIFVIFQ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50329855 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)) | BDBM50329855
(2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidaz...)Show SMILES OC(=O)c1nc([nH]c1C(=O)N(Cc1ccccc1)Cc1ccccc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C25H20ClN3O3/c26-20-13-7-12-19(14-20)23-27-21(22(28-23)25(31)32)24(30)29(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,27,28)(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+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 | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50329855
(2-(3-chlorophenyl)-4-(dibenzylcarbamoyl)-1H-imidaz...)Show SMILES OC(=O)c1nc([nH]c1C(=O)N(Cc1ccccc1)Cc1ccccc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C25H20ClN3O3/c26-20-13-7-12-19(14-20)23-27-21(22(28-23)25(31)32)24(30)29(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,27,28)(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.40E+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 | |