BDBM50101772 (S)-2-Chloromethanesulfonylamino-3-({5-[2-(1,4,5,6-tetrahydro-pyrimidin-2-ylcarbamoyl)-ethyl]-thiophene-2-carbonyl}-amino)-propionic acid::CHEMBL64362
SMILES: OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)NS(=O)(=O)CCl
InChI Key: InChIKey=UDTUGBRZLXZJCA-NSHDSACASA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50101772 ((S)-2-Chloromethanesulfonylamino-3-({5-[2-(1,4,5,6...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description Concentration required to reduce binding of Kistrin to Vitronectin receptor (alpha V beta 3) by 50% | Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50101772 ((S)-2-Chloromethanesulfonylamino-3-({5-[2-(1,4,5,6...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 255 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description Concentration required to reduce binding of fibrinogen (Fg) to alpha IIb beta3 integrin by 50% | Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50101772 ((S)-2-Chloromethanesulfonylamino-3-({5-[2-(1,4,5,6...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 167 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH Curated by ChEMBL | Assay Description Concentration required to reduce binding of Kistrin to Vitronectin receptor (alpha V beta 3) by 50% | Bioorg Med Chem Lett 11: 2011-5 (2001) BindingDB Entry DOI: 10.7270/Q2N87930 | |||||||||||
More data for this Ligand-Target Pair |