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SMILES: CC(C)c1ccccc1SC1=CC=C(\C=C\C(=O)N2CCC(CC2)C(O)=O)C(F)C1F

InChI Key: InChIKey=MIPWTBSINKWPRN-CSKARUKUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107186   
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))		BDBM50107186
PNG
(1-{3-[5,6-Difluoro-4-(2-isopropyl-phenylsulfanyl)-...)
Show SMILES CC(C)c1ccccc1SC1=CC=C(\C=C\C(=O)N2CCC(CC2)C(O)=O)C(F)C1F |t:11,13|
Show InChI InChI=1S/C24H27F2NO3S/c1-15(2)18-5-3-4-6-19(18)31-20-9-7-16(22(25)23(20)26)8-10-21(28)27-13-11-17(12-14-27)24(29)30/h3-10,15,17,22-23H,11-14H2,1-2H3,(H,29,30)/b10-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
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n/an/a 115n/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(110-120)

J Med Chem 44: 4393-403 (2001)


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