BDBM341 (3R,4S,5S,6R)-2,7-dibenzyl-4,5-dihydroxy-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-1,1-dione::3-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-propoxyphenyl)propanoic acid::3-(1,3-benzodioxole-5-carbonylamino)-3-(4-propoxyphenyl)propanoic acid::3-(piperonyloylamino)-3-(4-propoxyphenyl)propionic acid::3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-3-(4-propoxyphenyl)propanoic acid::3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(4-propoxyphenyl)propanoic acid::A2991/0126026::AC1MMNAC::MLS000085916::MLS002589693::MolPort-002-718-800::SMR000021245::ST075640::STK680249::cid_3241411

SMILES: CCCOc1ccc(cc1)C(CC(O)=O)NC(=O)c1ccc2OCOc2c1

InChI Key: InChIKey=JGVXLMNKLLXCII-UHFFFAOYSA-N

Data: 1 EC50

PDB links: 3 PDB IDs contain this monomer as substructures.

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 = 341   

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 alpha4 (Homo sapiens (Human))	BDBM341 ((3R,4S,5S,6R)-2,7-dibenzyl-4,5-dihydroxy-3,6-bis(p...) Show SMILES CCCOc1ccc(cc1)C(CC(O)=O)NC(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C20H21NO6/c1-2-9-25-15-6-3-13(4-7-15)16(11-19(22)23)21-20(24)14-5-8-17-18(10-14)27-12-26-17/h3-8,10,16H,2,9,11-12H2,1H3,(H,21,24)(H,22,23)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H130FK
					More data for this Ligand-Target Pair