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BDBM50106757 CHEMBL102351::[1-((S)-4-Methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoyl)-piperidin-2-yl]-phenyl-acetic acid

SMILES: CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N1CCCCC1C(C(O)=O)c1ccccc1

InChI Key: InChIKey=UCTXVHZMOAZHBQ-URPTXVBNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50106757   
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))
BDBM50106757
PNG
(CHEMBL102351 | [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)N1CCCCC1C(C(O)=O)c1ccccc1
Show InChI InChI=1S/C35H42N4O5/c1-23(2)21-29(33(41)39-20-10-9-15-30(39)32(34(42)43)26-12-5-4-6-13-26)37-31(40)22-25-16-18-27(19-17-25)36-35(44)38-28-14-8-7-11-24(28)3/h4-8,11-14,16-19,23,29-30,32H,9-10,15,20-22H2,1-3H3,(H,37,40)(H,42,43)(H2,36,38,44)/t29-,30?,32?/m0/s1
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Similars

Article
PubMed
n/an/a 4.96E+3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of VCAM-1 binding to integrin alphaV-beta3 in 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