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BDBM50107172 1-{3-[3-Chloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-ylsulfanyl)-5-trifluoromethyl-phenyl]-acryloyl}-piperidine-4-carboxylic acid::CHEMBL137682

SMILES: OC(=O)C1CCN(CC1)C(=O)\C=C\c1cc(Cl)c(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F

InChI Key: InChIKey=ACULBWCEWUTGGJ-DAFODLJHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107172   
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
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50107172
PNG
(1-{3-[3-Chloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-y...)
Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1cc(Cl)c(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3NO5S/c25-18-12-14(1-4-21(30)29-7-5-15(6-8-29)23(31)32)11-17(24(26,27)28)22(18)35-16-2-3-19-20(13-16)34-10-9-33-19/h1-4,11-13,15H,5-10H2,(H,31,32)/b4-1+
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1


J Med Chem 44: 4393-403 (2001)


Article DOI: 10.1021/jm0103108
BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair