BDBM17227 3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-1-benzothiophene-2-carboxamide::benzothiophene compound, 4
SMILES: Clc1c(sc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
InChI Key: InChIKey=BPVWZPRUIFGZGN-UHFFFAOYSA-N
Data: 6 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)) | BDBM17227 (3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Inhibition constant against human factor Xa | Bioorg Med Chem Lett 13: 507-11 (2003) BindingDB Entry DOI: 10.7270/Q21N829C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM17227 (3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.600 | -12.4 | 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 | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM17227 (3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Inhibition constant against human thrombin | Bioorg Med Chem Lett 13: 507-11 (2003) BindingDB Entry DOI: 10.7270/Q21N829C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Homo sapiens (Human)) | BDBM17227 (3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Inhibition constant against bovine trypsin | Bioorg Med Chem Lett 13: 507-11 (2003) BindingDB Entry DOI: 10.7270/Q21N829C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM17227 (3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...) | 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 | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM17227 (3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...) | 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 |