BDBM50110225 3-[7-(4-Methyl-pyridin-2-ylamino)-heptanoylamino]-3-(3-nitro-phenyl)-propionic acid::CHEMBL417426
SMILES: Cc1ccnc(NCCCCCCC(=O)NC(CC(O)=O)c2cccc(c2)[N+]([O-])=O)c1
InChI Key: InChIKey=QXUZEPOJJWMXPE-UHFFFAOYSA-N
Data: 7 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-IIb/beta-3 (Homo sapiens (Human)) | BDBM50110225 (3-[7-(4-Methyl-pyridin-2-ylamino)-heptanoylamino]-...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 580 | 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 | |||||||||||||
ITGAV/ITGB5 (Homo sapiens (Human)) | BDBM50110225 (3-[7-(4-Methyl-pyridin-2-ylamino)-heptanoylamino]-...) | 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 | PubMed | n/a | n/a | 2.10E+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 | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50110225 (3-[7-(4-Methyl-pyridin-2-ylamino)-heptanoylamino]-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | >5.00E+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-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 | |||||||||||||
ITGAV/ITGB5 (Homo sapiens (Human)) | BDBM50110225 (3-[7-(4-Methyl-pyridin-2-ylamino)-heptanoylamino]-...) | 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 | PubMed | n/a | n/a | 1.60E+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 | |||||||||||||
ITGAV/ITGB6 (Homo sapiens (Human)) | BDBM50110225 (3-[7-(4-Methyl-pyridin-2-ylamino)-heptanoylamino]-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 2.10E+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-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 | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50110225 (3-[7-(4-Methyl-pyridin-2-ylamino)-heptanoylamino]-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 53 | 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 | |||||||||||||
ITGAV/ITGB6 (Homo sapiens (Human)) | BDBM50110225 (3-[7-(4-Methyl-pyridin-2-ylamino)-heptanoylamino]-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 61 | 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 |