BDBM17236 2-(4-{[3-chloro-2-({4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}carbamoyl)-1-benzothiophen-6-yl]methyl}piperazin-1-yl)acetic acid::benzothiophene compound, 16
SMILES: OC(=O)CN1CCN(Cc2ccc3c(Cl)c(sc3c2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)CC1
InChI Key: InChIKey=HJYCQWMDGTUWII-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)) | BDBM17236 (2-(4-{[3-chloro-2-({4-chloro-2-[(4-chlorophenyl)ca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 9.5 | -10.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
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)) | BDBM17236 (2-(4-{[3-chloro-2-({4-chloro-2-[(4-chlorophenyl)ca...) | 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 | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM17236 (2-(4-{[3-chloro-2-({4-chloro-2-[(4-chlorophenyl)ca...) | PDB UniProtKB/SwissProt antibodypedia 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 |