BDBM286528 US9566312, Compound 2.5.9
SMILES: CC[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]([C@H](C)COC(=O)N2CCN(C)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
InChI Key: InChIKey=FERLVNZMHHKHEM-FNRRWBIXSA-N
Data: 3 Kd
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclophilin A (Homo sapiens (Human)) | BDBM286528 (US9566312, Compound 2.5.9) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG US Patent | Assay Description Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... | US Patent US9566312 (2017) BindingDB Entry DOI: 10.7270/Q2K939J1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase F, mitochondrial (Homo sapiens (Human)) | BDBM286528 (US9566312, Compound 2.5.9) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG US Patent | Assay Description Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... | US Patent US9566312 (2017) BindingDB Entry DOI: 10.7270/Q2K939J1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclophilin B (CypB) (Homo sapiens (Human)) | BDBM286528 (US9566312, Compound 2.5.9) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG US Patent | Assay Description Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... | US Patent US9566312 (2017) BindingDB Entry DOI: 10.7270/Q2K939J1 | |||||||||||
More data for this Ligand-Target Pair |