BDBM50230293 CHEMBL4082253
SMILES: CC(C)[C@@H]1NC(=O)CCCC\C=C\C=C\CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC1=O
InChI Key: InChIKey=ZXIFDXMZMTULOX-WDJUPVIMSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human)) | BDBM50230293 (CHEMBL4082253) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | 795 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd. Curated by ChEMBL | Assay Description Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... | J Med Chem 60: 1000-1017 (2017) BindingDB Entry DOI: 10.7270/Q2JQ137K | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human)) | BDBM50230293 (CHEMBL4082253) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd. Curated by ChEMBL | Assay Description Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... | J Med Chem 60: 1000-1017 (2017) BindingDB Entry DOI: 10.7270/Q2JQ137K | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |