BDBM50383796 CHEMBL2030962
SMILES: CNc1cccc(CCOc2c(C)cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2C)n1
InChI Key: InChIKey=FAEHBENUBLUAIB-NRFANRHFSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50383796![]() (CHEMBL2030962) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+ | Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGA5/ITGB1 (Homo sapiens (Human)) | BDBM50383796![]() (CHEMBL2030962) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Binding affinity to integrin alpha5beta1 | Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGA5/ITGB1 (Homo sapiens (Human)) | BDBM50383796![]() (CHEMBL2030962) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion | Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGA5/ITGB1 (Homo sapiens (Human)) | BDBM50383796![]() (CHEMBL2030962) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429 | Bioorg Med Chem Lett 22: 4117-21 (2012) Article DOI: 10.1016/j.bmcl.2012.04.061 BindingDB Entry DOI: 10.7270/Q2M61M8P | |||||||||||
More data for this Ligand-Target Pair |