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SMILES: OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c2ccccc12

InChI Key: InChIKey=ITUZNSWOVFKHBK-UXBLZVDNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107170   
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


(Homo sapiens (Human))		BDBM50107170
PNG
(1-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfanyl...)
Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c2ccccc12
Show InChI InChI=1S/C27H25NO5S/c29-26(28-13-11-19(12-14-28)27(30)31)10-6-18-5-9-25(22-4-2-1-3-21(18)22)34-20-7-8-23-24(17-20)33-16-15-32-23/h1-10,17,19H,11-16H2,(H,30,31)/b10-6+
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MMDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 295n/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, range (290-300)

J Med Chem 44: 4393-403 (2001)


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