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BDBM50222358 2-({1-[(4-aminophenyl)methyl]-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl}(propyl)carbamoyl)butanedioic acid::CHEMBL238658

SMILES: CCCN(C(=O)C(CC(O)=O)C(O)=O)C1=C(C)CC(N(Cc2ccc(N)cc2)C1=O)c1ccccc1

InChI Key: InChIKey=ZHEFTHJKIUGEFJ-UHFFFAOYNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50222358   
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
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50222358
PNG
(2-({1-[(4-aminophenyl)methyl]-4-methyl-2-oxo-6-phe...)
Show SMILES CCCN(C(=O)C(CC(O)=O)C(O)=O)C1=C(C)CC(N(Cc2ccc(N)cc2)C1=O)c1ccccc1
Show InChI InChI=1/C27H31N3O6/c1-3-13-29(25(33)21(27(35)36)15-23(31)32)24-17(2)14-22(19-7-5-4-6-8-19)30(26(24)34)16-18-9-11-20(28)12-10-18/h4-12,21-22H,3,13-16,28H2,1-2H3,(H,31,32)(H,35,36)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Università di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha5beta1-mediated K562 cell adhesion to fibronectin


Bioorg Med Chem 15: 7380-90 (2007)


Article DOI: 10.1016/j.bmc.2007.07.049
BindingDB Entry DOI: 10.7270/Q2N0167H
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50222358
PNG
(2-({1-[(4-aminophenyl)methyl]-4-methyl-2-oxo-6-phe...)
Show SMILES CCCN(C(=O)C(CC(O)=O)C(O)=O)C1=C(C)CC(N(Cc2ccc(N)cc2)C1=O)c1ccccc1
Show InChI InChI=1/C27H31N3O6/c1-3-13-29(25(33)21(27(35)36)15-23(31)32)24-17(2)14-22(19-7-5-4-6-8-19)30(26(24)34)16-18-9-11-20(28)12-10-18/h4-12,21-22H,3,13-16,28H2,1-2H3,(H,31,32)(H,35,36)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Università di Bologna

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3-mediated SK-MEL-24 cell adhesion to fibronectin


Bioorg Med Chem 15: 7380-90 (2007)


Article DOI: 10.1016/j.bmc.2007.07.049
BindingDB Entry DOI: 10.7270/Q2N0167H
More data for this
Ligand-Target Pair