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BDBM12972 (2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}amino)-3-(4-hydroxyphenyl)propanamido]-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-3-methylbutanamide::alpha-ketothiazole analogue 32
SMILES: [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1
InChI Key: InChIKey=XOPHHKQWDWBCDG-DCSNJQJVSA-N
Data: 7 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 X (Homo sapiens (Human)) | BDBM12972 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+3 | 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)) | BDBM12972 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.04E+3 | 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 | |||||||||||||
| Coagulation factor XI (Homo sapiens (Human)) | BDBM12972 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) | 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 | 6 | 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 | |||||||||||||
| Plasma kallikrein (Homo sapiens (Human)) | BDBM12972 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Inhibition of kallikrein | Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Coagulation factor XI (Homo sapiens (Human)) | BDBM12972 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Inhibition of human factor 11a | Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Coagulation factor X (Homo sapiens (Human)) | BDBM12972 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Inhibition of human factor 10a | Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prothrombin (Homo sapiens (Human)) | BDBM12972 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Inhibition of human alpha-thrombin | Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
