BDBM50137079 (S)-17-Amino-11-((S)-sec-butyl)-14-(2-carbamoyl-ethyl)-8-carboxymethyl-5-hydroxymethyl-7,13,24-tri(R)-oxo-4,10-di(S)-oxo-16-oxo-docosahydro-19,20-dithia-3a,6,9,12,15,23-hexaaza-cyclopentacyclotricosene-22-carboxylic acid::CHEMBL154655
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC1=O)C(O)=O
InChI Key: InChIKey=MRWDGHWMQBMXSG-VHCCAXNQSA-N
Data: 1 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 beta-1 (Homo sapiens (Human)) | BDBM50137079 ((S)-17-Amino-11-((S)-sec-butyl)-14-(2-carbamoyl-et...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.44E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universität München Curated by ChEMBL | Assay Description Inhibition of alpha4-beta1 interaction to vascular cell adhesion molecule-1 (VCAM-1) was determined | J Med Chem 46: 5752-62 (2003) Article DOI: 10.1021/jm020487h BindingDB Entry DOI: 10.7270/Q2V1246T | |||||||||||
More data for this Ligand-Target Pair |