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BDBM50106755 CHEMBL102339::[1-((S)-4-Methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoyl)-piperidin-4-yl]-acetic acid

SMILES: CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N1CCC(CC(O)=O)CC1

InChI Key: InChIKey=BNJREURCIDOWSG-VWLOTQADSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50106755   
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
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50106755
PNG
(CHEMBL102339 | [1-((S)-4-Methyl-2-{2-[4-(3-o-tolyl...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C29H38N4O5/c1-19(2)16-25(28(37)33-14-12-22(13-15-33)18-27(35)36)31-26(34)17-21-8-10-23(11-9-21)30-29(38)32-24-7-5-4-6-20(24)3/h4-11,19,22,25H,12-18H2,1-3H3,(H,31,34)(H,35,36)(H2,30,32,38)/t25-/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of VCAM-1 binding to integrin alpha4-beta1 of Jurkat cells


Bioorg Med Chem Lett 11: 3019-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00613-8
BindingDB Entry DOI: 10.7270/Q2MK6C6K
More data for this
Ligand-Target Pair