BDBM12971 (2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[(2S)-2-({[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl}amino)-3-(pyridin-3-yl)propanamido]-3-methylbutanamide::alpha-ketothiazole analogue 31
SMILES: [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#7]-[#6@@H](-[#6])-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1
InChI Key: InChIKey=LJZUOIBSYJRCOZ-KMAVCZJNSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor XI (Homo sapiens (Human)) | BDBM12971 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 533 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED) | Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis... | J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM12971 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 606 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED) | Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis... | J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM | |||||||||||
More data for this Ligand-Target Pair |