BDBM23569 (2S)-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-3-phenyl-2-[(2R)-pyrrolidin-2-ylformamido]propanamide::D-Pro-Phe-Arg chloromethyl ketone (PCK)
SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](=O)-[#6]Cl
InChI Key: InChIKey=HCCRRLVJBLDSLL-BBWFWOEESA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Factor XIIa (Homo sapiens (Human)) | BDBM23569 ((2S)-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur | Assay Description After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we... | J Med Chem 51: 3077-80 (2008) Article DOI: 10.1021/jm8002697 BindingDB Entry DOI: 10.7270/Q2610XNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM23569 ((2S)-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur | Assay Description After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we... | J Med Chem 51: 3077-80 (2008) Article DOI: 10.1021/jm8002697 BindingDB Entry DOI: 10.7270/Q2610XNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM23569 ((2S)-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur | Assay Description After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we... | J Med Chem 51: 3077-80 (2008) Article DOI: 10.1021/jm8002697 BindingDB Entry DOI: 10.7270/Q2610XNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor VII (Homo sapiens (Human)) | BDBM23569 ((2S)-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan...) | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur | Assay Description After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we... | J Med Chem 51: 3077-80 (2008) Article DOI: 10.1021/jm8002697 BindingDB Entry DOI: 10.7270/Q2610XNH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM23569 ((2S)-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan...) | 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 | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur | Assay Description After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we... | J Med Chem 51: 3077-80 (2008) Article DOI: 10.1021/jm8002697 BindingDB Entry DOI: 10.7270/Q2610XNH | |||||||||||
More data for this Ligand-Target Pair |