BDBM50059133 CHEMBL50106::SB-223245::{(S)-7-[(1H-Benzoimidazol-2-ylmethyl)-methyl-carbamoyl]-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl}-acetic acid::{7-[(1H-Benzoimidazol-2-ylmethyl)-methyl-carbamoyl]-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl}-acetic acid
SMILES: CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1
InChI Key: InChIKey=PVNQAXDNDZYXIW-SFHVURJKSA-N
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)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Affinity for vitronectin receptor, integrin alphaV-beta3 | J Med Chem 40: 2289-92 (1997) Article DOI: 10.1021/jm970205r BindingDB Entry DOI: 10.7270/Q22V2F74 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets | Bioorg Med Chem Lett 8: 3171-6 (1999) BindingDB Entry DOI: 10.7270/Q2B85994 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor | Bioorg Med Chem Lett 8: 3165-70 (1999) BindingDB Entry DOI: 10.7270/Q2NG4PSF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of HEK 293 cell adhesion to vitronectin by alpha V beta 3 | Bioorg Med Chem Lett 9: 1807-12 (1999) BindingDB Entry DOI: 10.7270/Q2Q23ZFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity towards human Vitronectin receptor. | Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for Vitronectin receptor (alpha V beta 3) | J Med Chem 43: 22-6 (2000) BindingDB Entry DOI: 10.7270/Q290230D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen Curated by ChEMBL | Assay Description Inhibition of binding to alphaV-beta3 integrin | J Med Chem 46: 4393-404 (2003) Article DOI: 10.1021/jm020577m BindingDB Entry DOI: 10.7270/Q2RX9D95 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for alpha V beta 1 receptor | Bioorg Med Chem Lett 9: 1807-12 (1999) BindingDB Entry DOI: 10.7270/Q2Q23ZFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity towards human Vitronectin receptor. | Bioorg Med Chem Lett 9: 1801-6 (1999) BindingDB Entry DOI: 10.7270/Q2TT4Q4B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor | Bioorg Med Chem Lett 8: 3165-70 (1999) BindingDB Entry DOI: 10.7270/Q2NG4PSF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for alpha IIb beta3 integrin | J Med Chem 43: 22-6 (2000) BindingDB Entry DOI: 10.7270/Q290230D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Affinity for platelet fibrinogen receptor, integrin alpha IIb/beta3 | J Med Chem 40: 2289-92 (1997) Article DOI: 10.1021/jm970205r BindingDB Entry DOI: 10.7270/Q22V2F74 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description HEK cell adhesion mediated by alpha v beta 3 integrin | J Med Chem 43: 22-6 (2000) BindingDB Entry DOI: 10.7270/Q290230D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of HEK 293 cell adhesion to vitronectin by alpha V beta 3 | Bioorg Med Chem Lett 9: 1807-12 (1999) BindingDB Entry DOI: 10.7270/Q2Q23ZFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50059133 (CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates | Bioorg Med Chem Lett 8: 3165-70 (1999) BindingDB Entry DOI: 10.7270/Q2NG4PSF | |||||||||||
More data for this Ligand-Target Pair |