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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Intercellular adhesion molecule 1' and Ligand = 'BDBM50092900'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092900
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-ethyl-phenylsu...)
Show SMILES CCc1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H25N3O4S/c1-3-19-6-4-5-7-21(19)31-22-10-8-18(16-20(22)26(29)30)9-11-23(28)25-14-12-24(13-15-25)17(2)27/h4-11,16H,3,12-15H2,1-2H3/b11-9+
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PubMed
n/an/a 100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1.

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair