BDBM17251 ethyl 2-({[4-chloro-5-({4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}carbamoyl)thiophen-3-yl]methyl}(methyl)amino)acetate::thiophene-containing non-amidine inhibitor, 53
SMILES: CCOC(=O)CN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
InChI Key: InChIKey=UPQXHLVWWXCGHX-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM17251 (ethyl 2-({[4-chloro-5-({4-chloro-2-[(4-chloropheny...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex | Assay Description The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ... | Bioorg Med Chem 15: 2127-46 (2007) Article DOI: 10.1016/j.bmc.2006.12.019 BindingDB Entry DOI: 10.7270/Q2MS3R1T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM17251 (ethyl 2-({[4-chloro-5-({4-chloro-2-[(4-chloropheny...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex | Assay Description The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ... | Bioorg Med Chem 15: 2127-46 (2007) Article DOI: 10.1016/j.bmc.2006.12.019 BindingDB Entry DOI: 10.7270/Q2MS3R1T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM17251 (ethyl 2-({[4-chloro-5-({4-chloro-2-[(4-chloropheny...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex | Assay Description The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ... | Bioorg Med Chem 15: 2127-46 (2007) Article DOI: 10.1016/j.bmc.2006.12.019 BindingDB Entry DOI: 10.7270/Q2MS3R1T | |||||||||||
More data for this Ligand-Target Pair |