BDBM50012999 CHEMBL2371642::{1-[1-(4-Amino-1-formyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C=O
InChI Key: InChIKey=LTUSQXXSNQKQCI-FKBYEOEOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Plasmin (Rattus norvegicus) | BDBM50012999 (CHEMBL2371642 | {1-[1-(4-Amino-1-formyl-butylcarba...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arkansas Curated by ChEMBL | Assay Description Evaluated for the inhibition of plasmin.(no inhibition at 400 microM) | J Med Chem 33: 86-93 (1990) BindingDB Entry DOI: 10.7270/Q2028QHR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50012999 (CHEMBL2371642 | {1-[1-(4-Amino-1-formyl-butylcarba...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arkansas Curated by ChEMBL | Assay Description Evaluated for the inhibition of trypsin.(no inhibition at 400 microM) | J Med Chem 33: 86-93 (1990) BindingDB Entry DOI: 10.7270/Q2028QHR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kallikrein-1 (KLK1) (Homo sapiens (Human)) | BDBM50012999 (CHEMBL2371642 | {1-[1-(4-Amino-1-formyl-butylcarba...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arkansas Curated by ChEMBL | Assay Description Inhibition of Kallikrein proteolytic enzyme | J Med Chem 33: 86-93 (1990) BindingDB Entry DOI: 10.7270/Q2028QHR | |||||||||||
More data for this Ligand-Target Pair |