BDBM50078714 CHEMBL288493::SB-265123::{(S)-3-[3-(Pyridin-2-ylamino)-propoxy]-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-10-yl}-acetic acid::{3-[3-(Pyridin-2-ylamino)-propoxy]-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-10-yl}-acetic acid
SMILES: OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
InChI Key: InChIKey=HODBWQCCKYDYPY-NRFANRHFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ITGAV/ITGB5 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for non-peptide Vitronectin receptor (alpha V beta 3) | Bioorg Med Chem Lett 9: 1807-12 (1999) BindingDB Entry DOI: 10.7270/Q2Q23ZFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB5 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for alphaV-beta3 vitronectin receptor | Bioorg Med Chem Lett 13: 1483-6 (2003) BindingDB Entry DOI: 10.7270/Q2FN15K8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of HEK 293 cell adhesion to vitronectin by alpha V beta 3 | Bioorg Med Chem Lett 9: 1807-12 (1999) BindingDB Entry DOI: 10.7270/Q2Q23ZFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for alphaIIb-beta3 vitronectin receptor | Bioorg Med Chem Lett 13: 1483-6 (2003) BindingDB Entry DOI: 10.7270/Q2FN15K8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for Vitronectin receptor (alpha V beta 3) | J Med Chem 43: 22-6 (2000) BindingDB Entry DOI: 10.7270/Q290230D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for alpha IIb beta3 integrin | J Med Chem 43: 22-6 (2000) BindingDB Entry DOI: 10.7270/Q290230D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for alphaIIb-beta3 vitronectin receptor | Bioorg Med Chem Lett 13: 1483-6 (2003) BindingDB Entry DOI: 10.7270/Q2FN15K8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for non-peptide Vitronectin receptor (alpha V beta 3) | Bioorg Med Chem Lett 9: 1807-12 (1999) BindingDB Entry DOI: 10.7270/Q2Q23ZFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB1 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for integrin alpha V beta 5 receptor | Bioorg Med Chem Lett 9: 1807-12 (1999) BindingDB Entry DOI: 10.7270/Q2Q23ZFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibitory concentration for biotinylated fibrinogen binding to immobilized alpha IIb beta3 integrin | Bioorg Med Chem Lett 14: 5937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.08.067 BindingDB Entry DOI: 10.7270/Q2DZ07S6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description HEK cell adhesion mediated by alpha v beta 3 integrin | J Med Chem 43: 22-6 (2000) BindingDB Entry DOI: 10.7270/Q290230D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for alpha IIb beta3 integrin | Bioorg Med Chem Lett 9: 1807-12 (1999) BindingDB Entry DOI: 10.7270/Q2Q23ZFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for alphav/beta 3 vitronectin receptor in HEK cells | Bioorg Med Chem Lett 13: 1483-6 (2003) BindingDB Entry DOI: 10.7270/Q2FN15K8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB5 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin | Bioorg Med Chem Lett 14: 5937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.08.067 BindingDB Entry DOI: 10.7270/Q2DZ07S6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50078714 (CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin | Bioorg Med Chem Lett 14: 5937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.08.067 BindingDB Entry DOI: 10.7270/Q2DZ07S6 | |||||||||||
More data for this Ligand-Target Pair |