BDBM50068894 3-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-benzoic acid::3-(4-{[1-(2-tert-Butoxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-benzoic acid::CHEMBL287318
SMILES: CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
InChI Key: InChIKey=DWKQSWOPFOFIHM-DJHGOXGWSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Chymase (Homo sapiens (Human)) | BDBM50068894 (3-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Green Cross Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for inhibitory activity against human heart chymase (HHC) | Bioorg Med Chem Lett 8: 913-8 (1999) BindingDB Entry DOI: 10.7270/Q2GQ6WXB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chymase (Homo sapiens (Human)) | BDBM50068894 (3-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation Curated by ChEMBL | Assay Description In vitro inhibitory activity was determined against human heart chymase | J Med Chem 44: 1297-304 (2001) BindingDB Entry DOI: 10.7270/Q22R3SCD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chymotrypsin (Homo sapiens (Human)) | BDBM50068894 (3-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 364 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation Curated by ChEMBL | Assay Description In vitro inhibitory activity was determined against bovine pancreas chymotrypsin | J Med Chem 44: 1297-304 (2001) BindingDB Entry DOI: 10.7270/Q22R3SCD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-chymotrypsin (Bos taurus (bovine)) | BDBM50068894 (3-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 364 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Green Cross Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for inhibitory activity against Chymotrypsinogen | Bioorg Med Chem Lett 8: 913-8 (1999) BindingDB Entry DOI: 10.7270/Q2GQ6WXB | |||||||||||
More data for this Ligand-Target Pair |