BDBM50060706 (S)-1-(3-Cyclohexyl-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide; TFA::CHEMBL408125
SMILES: NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(C2CCCCC2)c2ccccc2)CC1
InChI Key: InChIKey=OAJRNWZKUQCUPI-ZOQLTMJBSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50060706 ((S)-1-(3-Cyclohexyl-3-phenyl-propionyl)-pyrrolidin...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of Thrombin | J Med Chem 40: 3687-93 (1997) Article DOI: 10.1021/jm970397q BindingDB Entry DOI: 10.7270/Q20Z73ZQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50060706 ((S)-1-(3-Cyclohexyl-3-phenyl-propionyl)-pyrrolidin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro inhibition of human trypsin. | J Med Chem 40: 3687-93 (1997) Article DOI: 10.1021/jm970397q BindingDB Entry DOI: 10.7270/Q20Z73ZQ | |||||||||||
More data for this Ligand-Target Pair |