BDBM12589 (2R,3S)-3-({[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}amino)-2-hydroxy-N-(4-methoxyphenyl)-4-phenylbutane-1-sulfonamido::CHEMBL203590::N-((2R,3S)-3-{[5-chloro-2-(1H-tetrazol-1-yl)benzyl]amino}-2-hydroxy-4-phenylbutyl)-4-methoxybenzenesulfonamide::benzenesulfonamide-chlorophenyl hybrid compound 7
SMILES: COc1ccc(cc1)S(=O)(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NCc1cc(Cl)ccc1-n1cnnn1
InChI Key: InChIKey=YDLJMVKRFGITPS-UKILVPOCSA-N
Data: 2 IC50
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)) | BDBM12589 ((2R,3S)-3-({[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd. Curated by ChEMBL | Assay Description Inhibition of thrombin | J Med Chem 51: 3661-80 (2008) Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM12589 ((2R,3S)-3-({[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | 8.0 | 22 |
Astex | Assay Description The cleavage of the substrate was followed by monitoring the change in fluorescence at 460 nm (excitation at 365 nm) for 25 min at room temperature o... | J Med Chem 49: 1346-55 (2006) Article DOI: 10.1021/jm050850v BindingDB Entry DOI: 10.7270/Q20863J2 | |||||||||||
More data for this Ligand-Target Pair |