BDBM50157428 (R)-1-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfanyl)-3-trifluoromethyl-phenyl]-pyridin-2-yl}-pyrrolidin-3-ol::CHEMBL183780

SMILES: O[C@@H]1CCN(C1)c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F

InChI Key: InChIKey=OZDIXXYNNZCRMU-QGZVFWFLSA-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 = 50157428   

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
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50157428 ((R)-1-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulf...) Show SMILES O[C@@H]1CCN(C1)c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C24H21F3N2O3S/c25-24(26,27)19-11-15(16-5-7-28-23(12-16)29-8-6-17(30)14-29)1-4-22(19)33-18-2-3-20-21(13-18)32-10-9-31-20/h1-5,7,11-13,17,30H,6,8-10,14H2/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair