BDBM50141343 3-{3-Chloro-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-benzoylamino]-phenyl}-acrylic acid::CHEMBL36457
SMILES: OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)c(Cl)c1
InChI Key: InChIKey=KNVMGBKMZYKHLR-UHFFFAOYSA-N
Data: 5 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/ITGB1 (Homo sapiens (Human)) | BDBM50141343 (3-{3-Chloro-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-y...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA) | Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50141343 (3-{3-Chloro-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-y...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 233 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA) | Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB5 (Homo sapiens (Human)) | BDBM50141343 (3-{3-Chloro-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA) | Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50141343 (3-{3-Chloro-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-y...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells | Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50141343 (3-{3-Chloro-4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-y...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells | Bioorg Med Chem Lett 14: 1471-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.015 BindingDB Entry DOI: 10.7270/Q2RJ4HXS | |||||||||||
More data for this Ligand-Target Pair |