BDBM50422041 GECLOSPORIN
SMILES: CCC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
InChI Key: InChIKey=ZMKGDQSIRSGUDJ-VSROPUKISA-N
Data: 3 IC50
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)) | BDBM50422041 (GECLOSPORIN) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Sandoz Pharma Ltd. Curated by ChEMBL | Assay Description In vitro binding affinity of the compound against cyclophilin A by ELISA | J Med Chem 38: 3361-7 (1995) BindingDB Entry DOI: 10.7270/Q27W6B79 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human)) | BDBM50422041 (GECLOSPORIN) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Sandoz Pharma Ltd. Curated by ChEMBL | Assay Description In vitro binding affinity of the compound against cyclophilin A by ELISA | J Med Chem 38: 3361-7 (1995) BindingDB Entry DOI: 10.7270/Q27W6B79 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interleukin-2 (Mus musculus) | BDBM50422041 (GECLOSPORIN) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Sandoz Pharma Ltd. Curated by ChEMBL | Assay Description The compound was evaluated in vitro for the immunosuppressive activity in interleukin-2 by interleukin-2 reporter gene assay (IL2-RGA) | J Med Chem 38: 3361-7 (1995) BindingDB Entry DOI: 10.7270/Q27W6B79 | |||||||||||
More data for this Ligand-Target Pair |