BDBM17279 2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyridine-4-carboxylic acid::CHEMBL315014::Pyridine template, IV::ZK-806688
SMILES: NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)C3=NCCN3)n2)C(O)=O)c1
InChI Key: InChIKey=KDDSLUYCOZXRQI-UHFFFAOYSA-N
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)) | BDBM17279 (2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dih...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description Inhibition of human Coagulation factor X was determined | J Med Chem 46: 5691-9 (2003) Article DOI: 10.1021/jm030288d BindingDB Entry DOI: 10.7270/Q23J3CCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM17279 (2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dih...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Inhibitory potency was measured against human coagulation factor X | J Med Chem 41: 3557-62 (1998) Article DOI: 10.1021/jm980280h BindingDB Entry DOI: 10.7270/Q2KS6QPR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM17279 (2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dih...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Inhibitory constant against human coagulation factor Xa (fXa) | J Med Chem 45: 2484-93 (2002) BindingDB Entry DOI: 10.7270/Q24J0FTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM17279 (2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dih...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 85 | -9.54 | 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... | Acta Crystallogr D Biol Crystallogr 55: 1395-404 (1999) Article DOI: 10.1107/s0907444999007350 BindingDB Entry DOI: 10.7270/Q2H1308B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM17279 (2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dih...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 85 | -9.54 | 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... | Biochemistry 39: 12534-42 (2000) Article DOI: 10.1021/bi001477q BindingDB Entry DOI: 10.7270/Q2C827JM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM17279 (2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dih...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Inhibitory constant against bovine trypsin for general specificity against serine proteases | J Med Chem 45: 2484-93 (2002) BindingDB Entry DOI: 10.7270/Q24J0FTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM17279 (2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dih...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.40E+3 | -7.90 | 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... | Biochemistry 39: 12534-42 (2000) Article DOI: 10.1021/bi001477q BindingDB Entry DOI: 10.7270/Q2C827JM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM17279 (2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dih...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.40E+3 | -7.90 | 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... | Acta Crystallogr D Biol Crystallogr 55: 1395-404 (1999) Article DOI: 10.1107/s0907444999007350 BindingDB Entry DOI: 10.7270/Q2H1308B | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM17279 (2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dih...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Inhibitory potency was measured against bovine trypsin. | J Med Chem 41: 3557-62 (1998) Article DOI: 10.1021/jm980280h BindingDB Entry DOI: 10.7270/Q2KS6QPR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM17279 (2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dih...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem 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 Inhibitory constant against human coagulation factor II (thrombin) for selectivity within coagulation cascade | J Med Chem 45: 2484-93 (2002) BindingDB Entry DOI: 10.7270/Q24J0FTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM17279 (2-(5-carbamimidoyl-2-hydroxyphenoxy)-6-[3-(4,5-dih...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article 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 Inhibitory potency was measured against human thrombin | J Med Chem 41: 3557-62 (1998) Article DOI: 10.1021/jm980280h BindingDB Entry DOI: 10.7270/Q2KS6QPR | |||||||||||
More data for this Ligand-Target Pair |