BDBM50103295 1-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfanyl)-3-trifluoromethyl-phenyl]-acryloyl}-piperidine-4-carboxylic acid::CHEMBL102030

SMILES: OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F

InChI Key: InChIKey=DPOIZQRENSINPW-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 = 50103295   

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 (LFA-1) (Homo sapiens (Human))	BDBM50103295 (1-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfanyl...) Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3NO5S/c25-24(26,27)18-13-15(2-6-22(29)28-9-7-16(8-10-28)23(30)31)1-5-21(18)34-17-3-4-19-20(14-17)33-12-11-32-19/h1-6,13-14,16H,7-12H2,(H,30,31)/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	50	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(40-60)				J Med Chem 44: 4393-403 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GZN
					More data for this Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50103295 (1-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfanyl...) Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3NO5S/c25-24(26,27)18-13-15(2-6-22(29)28-9-7-16(8-10-28)23(30)31)1-5-21(18)34-17-3-4-19-20(14-17)33-12-11-32-19/h1-6,13-14,16H,7-12H2,(H,30,31)/b6-2+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to antagonise the Leukocyte function-associated Antigen-1/ Intracellular Adhesion molecule-1 interaction (LFA-1/ICAM-1)				J Med Chem 44: 2913-20 (2001) BindingDB Entry DOI: 10.7270/Q2PZ5831
					More data for this Ligand-Target Pair