BDBM50265514 (R)-5-((R)-2-(2-(4-(benzo[d]oxazol-2-ylamino)phenyl)acetamido)-6-((E)-3-(pyridin-3-yl)acrylamido)hexanamido)-6-(1-carbamoylcyclohexylamino)-6-oxohexanoic acid::CHEMBL454993

SMILES: NC(=O)C1(CCCCC1)NC(=O)[C@@H](CCCC(O)=O)NC(=O)[C@@H](CCCCNC(=O)\C=C\c1cccnc1)NC(=O)Cc1ccc(Nc2nc3ccccc3o2)cc1

InChI Key: InChIKey=KCHWAIVFBMDFOL-OXIOLLRCSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50265514   

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 alpha-4 (Homo sapiens (Human))	BDBM50265514 ((R)-5-((R)-2-(2-(4-(benzo[d]oxazol-2-ylamino)pheny...) Show SMILES NC(=O)C1(CCCCC1)NC(=O)[C@@H](CCCC(O)=O)NC(=O)[C@@H](CCCCNC(=O)\C=C\c1cccnc1)NC(=O)Cc1ccc(Nc2nc3ccccc3o2)cc1 |r| Show InChI InChI=1S/C42H50N8O8/c43-40(57)42(22-5-1-6-23-42)50-39(56)33(13-8-15-37(53)54)48-38(55)32(12-4-7-25-45-35(51)21-18-29-10-9-24-44-27-29)47-36(52)26-28-16-19-30(20-17-28)46-41-49-31-11-2-3-14-34(31)58-41/h2-3,9-11,14,16-21,24,27,32-33H,1,4-8,12-13,15,22-23,25-26H2,(H2,43,57)(H,45,51)(H,46,49)(H,47,52)(H,48,55)(H,50,56)(H,53,54)/b21-18+/t32-,33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human integrin alpha-4-beta-1-mediated MOLT4 cell adhesion to biotin-conjugated CS-1 peptide				J Med Chem 52: 14-9 (2009) Article DOI: 10.1021/jm800313f BindingDB Entry DOI: 10.7270/Q2DF6R23
					More data for this Ligand-Target Pair