BDBM50126571 CHEMBL35586::N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[3-(4-carbamimidoyl-phenyl)-ureido]-acetamide::N-[1-((S)-3-Bromo-phenyl)-ethyl]-2-[3-(4-carbamimidoyl-phenyl)-ureido]-acetamide
SMILES: C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1cccc(Br)c1
InChI Key: InChIKey=YSFQAQOMUCVTNV-NSHDSACASA-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 VII (Homo sapiens (Human)) | BDBM50126571 (CHEMBL35586 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description In vitro inhibition of human coagulation factor VIIa | Bioorg Med Chem Lett 14: 3715-20 (2004) Article DOI: 10.1016/j.bmcl.2004.05.006 BindingDB Entry DOI: 10.7270/Q2PG1R6T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor VII (Homo sapiens (Human)) | BDBM50126571 (CHEMBL35586 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description In vitro inhibitory activity against coagulation factor VII (fVIIa) | Bioorg Med Chem Lett 13: 1463-7 (2003) BindingDB Entry DOI: 10.7270/Q2Q52P1B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50126571 (CHEMBL35586 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description In vitro inhibitory activity against zymogen coagulation factor (fXa) | Bioorg Med Chem Lett 13: 1463-7 (2003) BindingDB Entry DOI: 10.7270/Q2Q52P1B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50126571 (CHEMBL35586 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description In vitro inhibition of coagulation factor X | Bioorg Med Chem Lett 14: 3715-20 (2004) Article DOI: 10.1016/j.bmcl.2004.05.006 BindingDB Entry DOI: 10.7270/Q2PG1R6T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50126571 (CHEMBL35586 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description In vitro inhibition of thrombin | Bioorg Med Chem Lett 14: 3715-20 (2004) Article DOI: 10.1016/j.bmcl.2004.05.006 BindingDB Entry DOI: 10.7270/Q2PG1R6T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50126571 (CHEMBL35586 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description In vitro inhibitory activity against thrombin | Bioorg Med Chem Lett 13: 1463-7 (2003) BindingDB Entry DOI: 10.7270/Q2Q52P1B | |||||||||||
More data for this Ligand-Target Pair |