BDBM50511167 CHEMBL4563187
SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccnc(N)c1
InChI Key: InChIKey=GEJSXHIYLBBIKS-LWPKXAGOSA-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 |
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Prothrombin (Homo sapiens (Human)) | BDBM50511167 (CHEMBL4563187) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 379 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps-University Marburg Curated by ChEMBL | Assay Description Inhibition of human alpha-thrombin using varying levels of Tos-Gly-Pro-Arg-AMC-TFA as substrate by fluorescence based Michaelis-Menten equation analy... | J Med Chem 63: 3274-3289 (2020) Article DOI: 10.1021/acs.jmedchem.9b02061 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin I (Bos taurus (bovine)) | BDBM50511167 (CHEMBL4563187) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a |
Philipps-University Marburg Curated by ChEMBL | Assay Description Binding affinity to bovine beta-trypsin in phosphate/HEPES/Tricine/Tris buffer by ITC method | J Med Chem 63: 3274-3289 (2020) Article DOI: 10.1021/acs.jmedchem.9b02061 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50511167 (CHEMBL4563187) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 916 | n/a | n/a | n/a | n/a | n/a |
Philipps-University Marburg Curated by ChEMBL | Assay Description Binding affinity to human alpha-thrombin in phosphate/HEPES/Tricine/Tris buffer by ITC method | J Med Chem 63: 3274-3289 (2020) Article DOI: 10.1021/acs.jmedchem.9b02061 | |||||||||||
More data for this Ligand-Target Pair |