BDBM50083763 CHEMBL86992::[(S)-8-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-3-oxo-2-(2,2,2-trifluoro-ethyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl]-acetic acid::[8-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-3-oxo-2-(2,2,2-trifluoro-ethyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl]-acetic acid
SMILES: CNc1cccc(CCOc2ccc3C[C@@H](CC(O)=O)C(=O)N(CC(F)(F)F)Cc3c2)n1
InChI Key: InChIKey=KSSPHFGIOASRDE-HNNXBMFYSA-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)) | BDBM50083763 (CHEMBL86992 | [(S)-8-[2-(6-Methylamino-pyridin-2-y...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | PubMed | 1.20 | 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 | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50083763 (CHEMBL86992 | [(S)-8-[2-(6-Methylamino-pyridin-2-y...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | PubMed | 3.80E+3 | 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)) | BDBM50083763 (CHEMBL86992 | [(S)-8-[2-(6-Methylamino-pyridin-2-y...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human alphaIIb-beta3 integrin in platelet aggregation assay | J Med Chem 46: 5316-25 (2003) Article DOI: 10.1021/jm030146j BindingDB Entry DOI: 10.7270/Q23R0S9P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50083763 (CHEMBL86992 | [(S)-8-[2-(6-Methylamino-pyridin-2-y...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of binding to human Vitronectin receptor (integrin alphaV-beta3) | J Med Chem 46: 5316-25 (2003) Article DOI: 10.1021/jm030146j BindingDB Entry DOI: 10.7270/Q23R0S9P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50083763 (CHEMBL86992 | [(S)-8-[2-(6-Methylamino-pyridin-2-y...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 3 | 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)) | BDBM50083763 (CHEMBL86992 | [(S)-8-[2-(6-Methylamino-pyridin-2-y...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of Vitronectin receptor, integrin alphaV-beta3 expressed in HEK 293 cells | J Med Chem 45: 5640-8 (2002) BindingDB Entry DOI: 10.7270/Q2VM4BKV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50083763 (CHEMBL86992 | [(S)-8-[2-(6-Methylamino-pyridin-2-y...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of integrin alphaIIb-beta3 in platelet aggregation assay | J Med Chem 45: 5640-8 (2002) BindingDB Entry DOI: 10.7270/Q2VM4BKV | |||||||||||
More data for this Ligand-Target Pair |