BDBM50068919 3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-4-carboxy-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-benzoic acid::CHEMBL436061
SMILES: CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
InChI Key: InChIKey=UHBKNSOVBQQMQP-VHYCJAOWSA-N
Data: 2 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)) | BDBM50068919 (3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-4-carboxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.90 | 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: 919-24 (1999) BindingDB Entry DOI: 10.7270/Q2BZ656D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chymotrypsin (Homo sapiens (Human)) | BDBM50068919 (3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-4-carboxy...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.30E+3 | 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 Bovine Chymotrypsinogen | Bioorg Med Chem Lett 8: 919-24 (1999) BindingDB Entry DOI: 10.7270/Q2BZ656D | |||||||||||
More data for this Ligand-Target Pair |