BDBM50107167 1-{3-[2,3-Dichloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-ylsulfanyl)-phenyl]-acryloyl}-piperidine-4-carboxylic acid::CHEMBL139390

SMILES: OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1Cl

InChI Key: InChIKey=HSJWUDLCVCZMAZ-QHHAFSJGSA-N

Data: 2 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 2 hits for monomerid = 50107167   

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-L/beta-2 (Homo sapiens (Human))	BDBM50107167 (1-{3-[2,3-Dichloro-4-(2,3-dihydro-benzo[1,4]dioxin...) Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1Cl Show InChI InChI=1S/C23H21Cl2NO5S/c24-21-14(2-6-20(27)26-9-7-15(8-10-26)23(28)29)1-5-19(22(21)25)32-16-3-4-17-18(13-16)31-12-11-30-17/h1-6,13,15H,7-12H2,(H,28,29)/b6-2+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (2-9)				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50107167 (1-{3-[2,3-Dichloro-4-(2,3-dihydro-benzo[1,4]dioxin...) Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1Cl Show InChI InChI=1S/C23H21Cl2NO5S/c24-21-14(2-6-20(27)26-9-7-15(8-10-26)23(28)29)1-5-19(22(21)25)32-16-3-4-17-18(13-16)31-12-11-30-17/h1-6,13,15H,7-12H2,(H,28,29)/b6-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (6-9)				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair