BDBM50004742 CHEMBL385670::Hirudin analogue
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)C\C=C\CNC(=O)C\C=C\CNC(=O)C\C=C\CNC(=O)CCCCC(=O)C(CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O
InChI Key: InChIKey=XVKDTKPRRFIVJI-OIDJGNKPSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50004742 (CHEMBL385670 | Hirudin analogue) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Council of Canada Curated by ChEMBL | Assay Description Compound was evaluated for their ability to inhibit the alpha-thrombin-mediated hydrolysis of the fluorescent substrate Tos-Gly-Pro-Arg-Amc | J Med Chem 35: 3331-41 (1992) BindingDB Entry DOI: 10.7270/Q2FX78D9 | |||||||||||
More data for this Ligand-Target Pair |