BDBM50126594 3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phenyl}-butyric acid::3-phenyl-4-(4-(3-(pyridin-2-ylamino)propoxy)phenyl)butanoic acid::CHEMBL36346
SMILES: OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1ccccc1
InChI Key: InChIKey=IAMUMIBDQILHMZ-UHFFFAOYSA-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)) | BDBM50126594 (3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...) | 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 | 6 | 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)) | BDBM50126594 (3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 32 | 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-beta5 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)) | BDBM50126594 (3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | >1.00E+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 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/ITGB6 (Homo sapiens (Human)) | BDBM50126594 (3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibition of integrin alphabeta6 receptor expressed in HT29 cells | Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50126594 (3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibition of human intergrin alphavbeta3 receptor expressed in HEK293 cells | Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB5 (Homo sapiens (Human)) | BDBM50126594 (3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibition of integrin alphavbeta5 receptor expressed in HEK293 cells | Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB1 (Homo sapiens (Human)) | BDBM50126594 (3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibition of integrin alphavbeta1 receptor expressed in HEK293 cells | Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50126594 (3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of HEK 293 cell adhesion to vitronectin by human alphaV-beta3 integrin | 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)) | BDBM50126594 (3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibition of human intergrin alphavbeta3 receptor by solid phase receptor assay | Bioorg Med Chem 15: 3390-412 (2007) Article DOI: 10.1016/j.bmc.2007.03.020 BindingDB Entry DOI: 10.7270/Q2057FK0 | |||||||||||
More data for this Ligand-Target Pair |