BDBM50110227 3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]-acetylamino}-3-(4-naphthalen-1-yl-phenyl)-propionic acid::CHEMBL2332368::CHEMBL267434
SMILES: Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(O)=O)c2ccc(cc2)-c2cccc3ccccc23)c1
InChI Key: InChIKey=LZXHGKPQGMADDV-UHFFFAOYSA-N
Data: 14 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)) | BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.23E+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 | |||||||||||||
ITGAV/ITGB5 (Homo sapiens (Human)) | BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) | 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 | n/a | n/a | 2.00E+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-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/ITGB5 (Homo sapiens (Human)) | BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) | 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 | n/a | n/a | 5.17E+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)) | BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.0400 | 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 | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.00E+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 | |||||||||||||
ITGAV/ITGB6 (Homo sapiens (Human)) | BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 200 | 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/ITGB6 (Homo sapiens (Human)) | BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Inhibition of integrin alphavbeta6 (unknown origin) by Merck binding assay | ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB6 (Homo sapiens (Human)) | BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) | 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 |
Technische Universit£t M£nchen Curated by ChEMBL | Assay Description Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA | J Med Chem 56: 1509-19 (2013) Article DOI: 10.1021/jm301221x BindingDB Entry DOI: 10.7270/Q2FJ2J4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen Curated by ChEMBL | Assay Description Inhibition of fibrinogen binding to Integrin alpha2bbeta3 receptor (unknown origin) by competitive ELISA | J Med Chem 56: 1509-19 (2013) Article DOI: 10.1021/jm301221x BindingDB Entry DOI: 10.7270/Q2FJ2J4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB5 (Homo sapiens (Human)) | BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen Curated by ChEMBL | Assay Description Inhibition of vitronectin binding to Integrin alphaVbeta5 receptor (unknown origin) by competitive ELISA | J Med Chem 56: 1509-19 (2013) Article DOI: 10.1021/jm301221x BindingDB Entry DOI: 10.7270/Q2FJ2J4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen Curated by ChEMBL | Assay Description Inhibition of vitronectin binding to Integrin alphaVbeta3 receptor (unknown origin) by competitive ELISA | J Med Chem 56: 1509-19 (2013) Article DOI: 10.1021/jm301221x BindingDB Entry DOI: 10.7270/Q2FJ2J4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGA5/ITGB1 (Homo sapiens (Human)) | BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen Curated by ChEMBL | Assay Description Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA | J Med Chem 56: 1509-19 (2013) Article DOI: 10.1021/jm301221x BindingDB Entry DOI: 10.7270/Q2FJ2J4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB6 (Homo sapiens (Human)) | BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Inhibition of integrin alphavbeta6 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis | ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 8 | 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 |