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BDBM50157371 CHEMBL180486::N-((R)-1-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfanyl)-3-trifluoromethyl-phenyl]-pyridin-2-yl}-pyrrolidin-3-yl)-N-methyl-acetamide

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

InChI Key: InChIKey=VWDMVVKQHNPLEH-HXUWFJFHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50157371   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50157371
PNG
(CHEMBL180486 | N-((R)-1-{4-[4-(2,3-Dihydro-benzo[1...)
Show SMILES CN([C@@H]1CCN(C1)c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F)C(C)=O
Show InChI InChI=1S/C27H26F3N3O3S/c1-17(34)32(2)20-8-10-33(16-20)26-14-19(7-9-31-26)18-3-6-25(22(13-18)27(28,29)30)37-21-4-5-23-24(15-21)36-12-11-35-23/h3-7,9,13-15,20H,8,10-12,16H2,1-2H3/t20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 168n/an/an/an/an/an/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