BDBM50079381 (R)-2-Amino-3-methyl-pentanoic acid {(S)-1-[(6-amino-hexyl)-(4-oxo-tetrahydro-thiopyran-3-yl)-carbamoyl]-2-phenyl-ethyl}-amide::CHEMBL2370338
SMILES: CC[C@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCCCN)C1CSCCC1=O
InChI Key: InChIKey=BVFJBDGQTFTUOZ-GIFYUCOESA-N
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Plasminogen (Homo sapiens (Human)) | BDBM50079381 ((R)-2-Amino-3-methyl-pentanoic acid {(S)-1-[(6-ami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity against plasmin | J Med Chem 42: 2969-76 (1999) Article DOI: 10.1021/jm990110k BindingDB Entry DOI: 10.7270/Q2WM1CMW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50079381 ((R)-2-Amino-3-methyl-pentanoic acid {(S)-1-[(6-ami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.00E+4 | 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 plasmin (unknown origin) using D-Val-Leu-Lys-pNA as substrate | J Med Chem 63: 1445-1472 (2020) Article DOI: 10.1021/acs.jmedchem.9b01060 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50079381 ((R)-2-Amino-3-methyl-pentanoic acid {(S)-1-[(6-ami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity against plasmin | J Med Chem 42: 2969-76 (1999) Article DOI: 10.1021/jm990110k BindingDB Entry DOI: 10.7270/Q2WM1CMW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein 1 (Homo sapiens (Human)) | BDBM50079381 ((R)-2-Amino-3-methyl-pentanoic acid {(S)-1-[(6-ami...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity against kallikrein | J Med Chem 42: 2969-76 (1999) Article DOI: 10.1021/jm990110k BindingDB Entry DOI: 10.7270/Q2WM1CMW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50079381 ((R)-2-Amino-3-methyl-pentanoic acid {(S)-1-[(6-ami...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity against thrombin | J Med Chem 42: 2969-76 (1999) Article DOI: 10.1021/jm990110k BindingDB Entry DOI: 10.7270/Q2WM1CMW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50079381 ((R)-2-Amino-3-methyl-pentanoic acid {(S)-1-[(6-ami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity against trypsin | J Med Chem 42: 2969-76 (1999) Article DOI: 10.1021/jm990110k BindingDB Entry DOI: 10.7270/Q2WM1CMW | |||||||||||
More data for this Ligand-Target Pair |