BDBM13778 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]acetic acid::CHEMBL76325::amidine-containing inhibitor 2
SMILES: NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
InChI Key: InChIKey=IDFDGLCIRPBHPZ-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 |
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Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human)) | BDBM13778 (2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics Curated by ChEMBL | Assay Description Binding affinity to factor7a/TF complex | Bioorg Med Chem Lett 16: 2243-6 (2006) Article DOI: 10.1016/j.bmcl.2006.01.037 BindingDB Entry DOI: 10.7270/Q2GB23NX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human)) | BDBM13778 (2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Binding affinity for factor VIIa/TF | Bioorg Med Chem Lett 11: 2253-6 (2001) BindingDB Entry DOI: 10.7270/Q2XG9QD9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor VII (Homo sapiens (Human)) | BDBM13778 (2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4 | -11.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Celera | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem Lett 16: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM13778 (2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 50 | -9.85 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Celera | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem Lett 16: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM13778 (2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 400 | -8.63 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Celera | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem Lett 16: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM13778 (2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.90E+3 | -7.47 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Celera | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem Lett 16: 2270-3 (2006) Article DOI: 10.1016/j.bmcl.2006.01.017 BindingDB Entry DOI: 10.7270/Q2RF5S8X | |||||||||||
More data for this Ligand-Target Pair |