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SMILES: CCNC(=O)C1(Cc2ccccc2C1)Nc1nc(NCCc2ccc(Cl)c(Cl)c2)nc(n1)N1CCCC1

InChI Key: InChIKey=JQMVIRYMEBHHLH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50021699   
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))		BDBM50021699
PNG
(CHEMBL3298405)
Show SMILES CCNC(=O)C1(Cc2ccccc2C1)Nc1nc(NCCc2ccc(Cl)c(Cl)c2)nc(n1)N1CCCC1
Show InChI InChI=1S/C27H31Cl2N7O/c1-2-30-23(37)27(16-19-7-3-4-8-20(19)17-27)35-25-32-24(33-26(34-25)36-13-5-6-14-36)31-12-11-18-9-10-21(28)22(29)15-18/h3-4,7-10,15H,2,5-6,11-14,16-17H2,1H3,(H,30,37)(H2,31,32,33,34,35)
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Article
PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at C-terminal 6xHis-tagged LFA-1 LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of interaction with IC...

Bioorg Med Chem 22: 2353-65 (2014)


Article DOI: 10.1016/j.bmc.2014.01.050
BindingDB Entry DOI: 10.7270/Q2Q81FN5
More data for this
Ligand-Target Pair