BDBM13558 2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyphenyl)acetic acid::phenylglycine deriv. 6::phenylglycine derivative 1
SMILES: CCOc1cc(OCC)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
InChI Key: InChIKey=UXQFXLBBPPHNHB-UHFFFAOYSA-N
Data: 9 KI
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 VII (Homo sapiens (Human)) | BDBM13558 (2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 190 | -9.07 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
F. Hoffmann-La Roche Ltd. | 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 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor VII (Homo sapiens (Human)) | BDBM13558 (2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 190 | -9.07 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
F. Hoffmann-La Roche Ltd. | 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 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor VII (Homo sapiens (Human)) | BDBM13558 (2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D Curated by ChEMBL | Assay Description Inhibition of human factor 7a | Bioorg Med Chem Lett 25: 2169-73 (2015) Article DOI: 10.1016/j.bmcl.2015.03.062 BindingDB Entry DOI: 10.7270/Q2GQ70FP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM13558 (2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. | 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 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM13558 (2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. | 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 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM13558 (2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. | 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 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM13558 (2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. | 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 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM13558 (2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >3.50E+4 | >-6.01 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
F. Hoffmann-La Roche Ltd. | 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 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM13558 (2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. | 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 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X | |||||||||||
More data for this Ligand-Target Pair |