BDBM50120516 (7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid::CHEMBL113853
SMILES: OC(=O)CC1CC(CNC(=O)CCCNc2ccccn2)=CCc2ccccc12
InChI Key: InChIKey=LTTIHWWYCLBIKC-UHFFFAOYSA-N
Data: 5 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin alpha-V/beta-5 (Homo sapiens (Human)) | BDBM50120516 ((7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier Curated by ChEMBL | Assay Description Displacement of fibrinogen from Human integrin alphaIIb-beta3 | Bioorg Med Chem Lett 12: 3291-6 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DRB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50120516 ((7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier Curated by ChEMBL | Assay Description Displacement of vitronectin from human integrin alphaV-beta5 | Bioorg Med Chem Lett 12: 3291-6 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DRB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-V/beta-5 (Homo sapiens (Human)) | BDBM50120516 ((7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bradford Curated by ChEMBL | Assay Description Antagonist activity at alphavbeta5 integrin receptor (unknown origin) by cell-free ELISA | J Med Chem 57: 6301-15 (2014) Article DOI: 10.1021/jm5000547 BindingDB Entry DOI: 10.7270/Q2NS0XW8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-V/beta-3 (Homo sapiens (Human)) | BDBM50120516 ((7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bradford Curated by ChEMBL | Assay Description Antagonist activity at alphavbeta3 integrin receptor (unknown origin) by cell-free ELISA | J Med Chem 57: 6301-15 (2014) Article DOI: 10.1021/jm5000547 BindingDB Entry DOI: 10.7270/Q2NS0XW8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-V/beta-3 (Homo sapiens (Human)) | BDBM50120516 ((7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier Curated by ChEMBL | Assay Description Displacement of fibrinogen from Human integrin alphaIIb-beta3 | Bioorg Med Chem Lett 12: 3291-6 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DRB | |||||||||||
More data for this Ligand-Target Pair |