BDBM50054492 (S)-4-[(R)-2-((S)-3-Carbamimidoyl-2-hydroxy-cyclohexylcarbamoyl)-pyrrolidin-1-yl]-4-oxo-3-(2-propyl-pentanoylamino)-butyric acid methyl ester::CHEMBL141574
SMILES: CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC(C1O)C(N)=N
InChI Key: InChIKey=FBHFAKDPYSBTTM-XPKGASNUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Trypsin-1 (Homo sapiens (Human)) | BDBM50054492![]() ((S)-4-[(R)-2-((S)-3-Carbamimidoyl-2-hydroxy-cycloh...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.36 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description In vitro for inhibition of serine protease Trypsin. | J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50054492![]() ((S)-4-[(R)-2-((S)-3-Carbamimidoyl-2-hydroxy-cycloh...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description In vitro for inhibition of serine protease thrombin(FIIa). | J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50054492![]() ((S)-4-[(R)-2-((S)-3-Carbamimidoyl-2-hydroxy-cycloh...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International, Inc. Curated by ChEMBL | Assay Description In vitro for inhibition of Coagulation factor X | J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT | |||||||||||
More data for this Ligand-Target Pair |