BDBM50131978 1-Benzyl-pyrrolidine-2-carboxylic acid [1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide; TFA::CHEMBL341148
SMILES: NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(=O)c1nc2ccccc2s1
InChI Key: InChIKey=NUHSLCPNNDENLB-PMACEKPBSA-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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Trypsin-1 (Homo sapiens (Human)) | BDBM50131978 (1-Benzyl-pyrrolidine-2-carboxylic acid [1-(benzoth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description In vitro inhibition of bovine trypsin. | J Med Chem 46: 3865-76 (2003) Article DOI: 10.1021/jm030050p BindingDB Entry DOI: 10.7270/Q23T9J0V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptase (Homo sapiens (Human)) | BDBM50131978 (1-Benzyl-pyrrolidine-2-carboxylic acid [1-(benzoth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description In vitro inhibition of human Tryptase beta. | J Med Chem 46: 3865-76 (2003) Article DOI: 10.1021/jm030050p BindingDB Entry DOI: 10.7270/Q23T9J0V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Homo sapiens (Human)) | BDBM50131978 (1-Benzyl-pyrrolidine-2-carboxylic acid [1-(benzoth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Beta-Trypsin inhibitory activity of compound was determined | J Med Chem 46: 3865-76 (2003) Article DOI: 10.1021/jm030050p BindingDB Entry DOI: 10.7270/Q23T9J0V | |||||||||||
More data for this Ligand-Target Pair |