BDBM50280654 (S)-5-Guanidino-2-{[(S)-1-((S)-2-methylamino-2-phenyl-acetyl)-pyrrolidine-2-carbonyl]-amino}-pentanoic acid::CHEMBL8108
SMILES: CN[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)c1ccccc1
InChI Key: InChIKey=CJUOBXSVMSLLKV-JYJNAYRXSA-N
Data: 5 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 (Bos taurus (bovine)) | BDBM50280654 ((S)-5-Guanidino-2-{[(S)-1-((S)-2-methylamino-2-phe...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro concentration of compound required to inhibit 50% of trypsin | Bioorg Med Chem Lett 2: 1025-1028 (1992) Article DOI: 10.1016/S0960-894X(00)80611-3 BindingDB Entry DOI: 10.7270/Q2X066XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50280654 ((S)-5-Guanidino-2-{[(S)-1-((S)-2-methylamino-2-phe...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro concentration of compound required to inhibit 50% of 6 nM thrombin | Bioorg Med Chem Lett 2: 1025-1028 (1992) Article DOI: 10.1016/S0960-894X(00)80611-3 BindingDB Entry DOI: 10.7270/Q2X066XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Bos taurus) | BDBM50280654 ((S)-5-Guanidino-2-{[(S)-1-((S)-2-methylamino-2-phe...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro concentration of compound required to inhibit 50% of factor Xa | Bioorg Med Chem Lett 2: 1025-1028 (1992) Article DOI: 10.1016/S0960-894X(00)80611-3 BindingDB Entry DOI: 10.7270/Q2X066XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM50280654 ((S)-5-Guanidino-2-{[(S)-1-((S)-2-methylamino-2-phe...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro concentration of compound required to inhibit 50% of kallikrein | Bioorg Med Chem Lett 2: 1025-1028 (1992) Article DOI: 10.1016/S0960-894X(00)80611-3 BindingDB Entry DOI: 10.7270/Q2X066XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50280654 ((S)-5-Guanidino-2-{[(S)-1-((S)-2-methylamino-2-phe...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro concentration of compound required to inhibit 50% of plasmin | Bioorg Med Chem Lett 2: 1025-1028 (1992) Article DOI: 10.1016/S0960-894X(00)80611-3 BindingDB Entry DOI: 10.7270/Q2X066XV | |||||||||||
More data for this Ligand-Target Pair |