BDBM50141355 3-[4-(3-Guanidino-benzoylamino)-2-methoxy-phenyl]-2-isopropoxycarbonylamino-propionic acid::CHEMBL285950
SMILES: [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6](-[#6])-[#6])-[#6](-[#8])=O
InChI Key: InChIKey=SMMNOJYHMMCWQP-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin alpha-V/beta-1 (Homo sapiens (Human)) | BDBM50141355 (3-[4-(3-Guanidino-benzoylamino)-2-methoxy-phenyl]-...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10 | 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 | |||||||||||||
Integrin alpha-V/beta-3 (Homo sapiens (Human)) | BDBM50141355 (3-[4-(3-Guanidino-benzoylamino)-2-methoxy-phenyl]-...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Binding affinity towards alpha V-beta5 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 | |||||||||||||
Integrin alpha-V/beta-5 (Homo sapiens (Human)) | BDBM50141355 (3-[4-(3-Guanidino-benzoylamino)-2-methoxy-phenyl]-...) | 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 | 0.380 | 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 | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50141355 (3-[4-(3-Guanidino-benzoylamino)-2-methoxy-phenyl]-...) | 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 | 253 | 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 | |||||||||||||
Integrin alpha-V/beta-3 (Homo sapiens (Human)) | BDBM50141355 (3-[4-(3-Guanidino-benzoylamino)-2-methoxy-phenyl]-...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.320 | 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 |