BDBM50072487 CHEMBL108366::{(S)-4-(2-Benzo[1,3]dioxol-5-yl-ethyl)-7-[(1H-benzoimidazol-2-ylmethyl)-carbamoyl]-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl}-acetic acid
SMILES: OC(=O)C[C@@H]1Nc2ccc(cc2CN(CCc2ccc3OCOc3c2)C1=O)C(=O)NCc1nc2ccccc2[nH]1
InChI Key: InChIKey=IHQOFYRMKAQGIT-QHCPKHFHSA-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 |
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ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50072487 (CHEMBL108366 | {(S)-4-(2-Benzo[1,3]dioxol-5-yl-eth...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.5 | 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)) | BDBM50072487 (CHEMBL108366 | {(S)-4-(2-Benzo[1,3]dioxol-5-yl-eth...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 670 | 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 |