null
SMILES: OC(=O)CC(NC(=O)CNC(=O)CCCCNc1ccccn1)c1ccc(cc1)-c1ccccc1
InChI Key: InChIKey=OTRLSMNUUKTGCC-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin alpha-V/beta-5 (Homo sapiens (Human)) | BDBM50110232 (3-Biphenyl-4-yl-3-{2-[5-(pyridin-2-ylamino)-pentan...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA Curated by ChEMBL | Assay Description Inhibition of vitronectin binding to recombinant human alphaV-beta5 integrin | J Med Chem 45: 1045-51 (2002) BindingDB Entry DOI: 10.7270/Q2RR1XJR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-V/beta-3 (Homo sapiens (Human)) | BDBM50110232 (3-Biphenyl-4-yl-3-{2-[5-(pyridin-2-ylamino)-pentan...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA Curated by ChEMBL | Assay Description Inhibition of integrin alpha-v/beta-3 mediated M21 cell adhesion to vitronectin with monoclonal antibody P1F6 | J Med Chem 45: 1045-51 (2002) BindingDB Entry DOI: 10.7270/Q2RR1XJR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50110232 (3-Biphenyl-4-yl-3-{2-[5-(pyridin-2-ylamino)-pentan...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA Curated by ChEMBL | Assay Description Inhibition of fibrinogen binding to recombinant human platelet glycoprotein alpha IIb beta3 integrin | J Med Chem 45: 1045-51 (2002) BindingDB Entry DOI: 10.7270/Q2RR1XJR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-V/beta-6 (Homo sapiens (Human)) | BDBM50110232 (3-Biphenyl-4-yl-3-{2-[5-(pyridin-2-ylamino)-pentan...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA Curated by ChEMBL | Assay Description Inhibition of integrin alpha-v/beta-6 mediated UCLAP-3 cell adhesion to fibronectin | J Med Chem 45: 1045-51 (2002) BindingDB Entry DOI: 10.7270/Q2RR1XJR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-V/beta-3 (Homo sapiens (Human)) | BDBM50110232 (3-Biphenyl-4-yl-3-{2-[5-(pyridin-2-ylamino)-pentan...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.450 | 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)) | BDBM50110232 (3-Biphenyl-4-yl-3-{2-[5-(pyridin-2-ylamino)-pentan...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA Curated by ChEMBL | Assay Description Inhibition of vitronectin binding to recombinant human alphaV-beta3 integrin | J Med Chem 45: 1045-51 (2002) BindingDB Entry DOI: 10.7270/Q2RR1XJR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-V/beta-6 (Homo sapiens (Human)) | BDBM50110232 (3-Biphenyl-4-yl-3-{2-[5-(pyridin-2-ylamino)-pentan...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA Curated by ChEMBL | Assay Description Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin | J Med Chem 45: 1045-51 (2002) BindingDB Entry DOI: 10.7270/Q2RR1XJR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-V/beta-5 (Homo sapiens (Human)) | BDBM50110232 (3-Biphenyl-4-yl-3-{2-[5-(pyridin-2-ylamino)-pentan...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.67E+3 | 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-6 (Homo sapiens (Human)) | BDBM50110232 (3-Biphenyl-4-yl-3-{2-[5-(pyridin-2-ylamino)-pentan...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bradford Curated by ChEMBL | Assay Description Antagonist activity at alphavbeta6 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-5 (Homo sapiens (Human)) | BDBM50110232 (3-Biphenyl-4-yl-3-{2-[5-(pyridin-2-ylamino)-pentan...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA Curated by ChEMBL | Assay Description Inhibition of integrin alpha-v/beta-5 mediated UCLAP-3 cell adhesion on vitronectin | J Med Chem 45: 1045-51 (2002) BindingDB Entry DOI: 10.7270/Q2RR1XJR | |||||||||||
More data for this Ligand-Target Pair |