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BDBM50209457 (3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-hydroxy-5-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamido)acetamido)propanoic acid::CHEMBL244013
SMILES: [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]
InChI Key: InChIKey=XROUNTCRSNMMAO-KRWDZBQOSA-N
Data: 8 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-3 (Homo sapiens (Human)) | BDBM50209457 ((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells | Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-5/alpha-V (Homo sapiens (Human)) | BDBM50209457 ((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bradford Curated by ChEMBL | Assay Description Antagonist activity at alphavbeta5 integrin receptor in HEK293 cells after 4 hrs using p-nitrophenyl phosphate by colorimetry | J Med Chem 57: 6301-15 (2014) Article DOI: 10.1021/jm5000547 BindingDB Entry DOI: 10.7270/Q2NS0XW8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-V/beta-6 (Homo sapiens (Human)) | BDBM50209457 ((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bradford Curated by ChEMBL | Assay Description Antagonist activity at alphavbeta6 integrin receptor in human HT29 cells after 4 hrs using p-nitrophenyl phosphate by colorimetry | J Med Chem 57: 6301-15 (2014) Article DOI: 10.1021/jm5000547 BindingDB Entry DOI: 10.7270/Q2NS0XW8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-5/beta-1 (Homo sapiens (Human)) | BDBM50209457 ((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bradford Curated by ChEMBL | Assay Description Antagonist activity at alpha5beta1 integrin receptor in K562 cells after 4 hrs using p-nitrophenyl phosphate by colorimetry | J Med Chem 57: 6301-15 (2014) Article DOI: 10.1021/jm5000547 BindingDB Entry DOI: 10.7270/Q2NS0XW8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50209457 ((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...) | 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 | 257 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bradford Curated by ChEMBL | Assay Description Antagonist activity at alpha2bbeta3 integrin receptor (unknown origin) by cell-free ELISA | J Med Chem 57: 6301-15 (2014) Article DOI: 10.1021/jm5000547 BindingDB Entry DOI: 10.7270/Q2NS0XW8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-V/beta-1 (Homo sapiens (Human)) | BDBM50209457 ((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bradford Curated by ChEMBL | Assay Description Antagonist activity at alphavbeta1 integrin receptor in HEK293 cells after 4 hrs using p-nitrophenyl phosphate by colorimetry | J Med Chem 57: 6301-15 (2014) Article DOI: 10.1021/jm5000547 BindingDB Entry DOI: 10.7270/Q2NS0XW8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-V/beta-3 (Homo sapiens (Human)) | BDBM50209457 ((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bradford Curated by ChEMBL | Assay Description Antagonist activity at alphavbeta3 integrin receptor in HEK293 cells after 4 hrs using p-nitrophenyl phosphate by colorimetry | J Med Chem 57: 6301-15 (2014) Article DOI: 10.1021/jm5000547 BindingDB Entry DOI: 10.7270/Q2NS0XW8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-V/beta-8 (Homo sapiens (Human)) | BDBM50209457 ((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bradford Curated by ChEMBL | Assay Description Antagonist activity at human recombinant alphavbeta8 integrin receptor expressed in HEK293 cells after 4 hrs using p-nitrophenyl phosphate by colorim... | J Med Chem 57: 6301-15 (2014) Article DOI: 10.1021/jm5000547 BindingDB Entry DOI: 10.7270/Q2NS0XW8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
