BDBM50230212 CHEMBL4084776
SMILES: CO[C@@H]1CC\C=C\c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C
InChI Key: InChIKey=BSBCQRNFTUWDHR-GUUAQPORSA-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)) | BDBM50230212 (CHEMBL4084776) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | 7 | 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)) | BDBM50230212 (CHEMBL4084776) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | 24 | 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) |