BDBM50060747 (S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethanesulfonylamino-propionyl]-pyrrolidine-2-carboxylic acid (6-amino-2,4-dimethyl-pyridin-3-ylmethyl)-amide::CHEMBL338788
SMILES: Cc1cc(N)nc(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NS(=O)(=O)Cc1ccccc1
InChI Key: InChIKey=UWOLGNVHETVCHA-FTJBHMTQSA-N
Data: 3 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)) | BDBM50060747 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11 | 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 inhibitory activity against human thrombin(IIa) | J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50060747 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.90E+3 | 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 inhibitory activity against bovine trypsin | J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50060747 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-phenylmethane...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.20E+4 | 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 inhibitory activity against Coagulation factor X | J Med Chem 40: 3726-33 (1997) Article DOI: 10.1021/jm970493r BindingDB Entry DOI: 10.7270/Q289150N | |||||||||||
More data for this Ligand-Target Pair |