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SMILES: CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)S(O)(=O)=O)cc1[N+]([O-])=O

InChI Key: InChIKey=OCUFGCYPFDLREE-CSKARUKUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50103299   
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/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50103299
PNG
(1-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-pheny...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)S(O)(=O)=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H26N2O6S2/c1-16(2)19-5-3-4-6-21(19)32-22-9-7-17(15-20(22)25(27)28)8-10-23(26)24-13-11-18(12-14-24)33(29,30)31/h3-10,15-16,18H,11-14H2,1-2H3,(H,29,30,31)/b10-8+
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Similars
PubMed
n/an/a 90n/an/an/an/an/an/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