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SMILES: CC(C)CN(C(=O)c1cccs1)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O

InChI Key: InChIKey=YWCBZRPSFKBFBQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50157457   
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-4/beta-1


(Homo sapiens (Human))		BDBM50157457
PNG
(3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[iso...)
Show SMILES CC(C)CN(C(=O)c1cccs1)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C31H28Cl2N2O4S/c1-19(2)18-35(30(37)27-10-5-15-40-27)23-7-3-6-21(17-23)24(31(38)39)16-20-11-13-22(14-12-20)34-29(36)28-25(32)8-4-9-26(28)33/h3-15,17,19,24H,16,18H2,1-2H3,(H,34,36)(H,38,39)
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PC cid
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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...

Bioorg Med Chem Lett 15: 217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.089
BindingDB Entry DOI: 10.7270/Q27945Z1
More data for this
Ligand-Target Pair