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BDBM50209455 (3R)-3-(2-(3-amino-5-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamido)acetamido)-3-(3-bromo-5-chloro-2-hydroxyphenyl)propanoic acid::CHEMBL242707

SMILES: [#7]-c1cc(cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8])\[#7]=[#6]-1\[#7]-[#6]-[#6](-[#8])-[#6]-[#7]-1

InChI Key: InChIKey=IFSFMYKCQAKBNP-QGZVFWFLSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50209455   
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
ITGAV/ITGB6


(Homo sapiens (Human))
BDBM50209455
PNG
((3R)-3-(2-(3-amino-5-(5-hydroxy-1,4,5,6-tetrahydro...)
Show SMILES Nc1cc(cc(c1)C(=O)NCC(=O)N[C@H](CC(O)=O)c1cc(Cl)cc(Br)c1O)N=C1NCC(O)CN1
Show InChI InChI=1S/C22H24BrClN6O6/c23-16-4-11(24)3-15(20(16)35)17(6-19(33)34)30-18(32)9-26-21(36)10-1-12(25)5-13(2-10)29-22-27-7-14(31)8-28-22/h1-5,14,17,31,35H,6-9,25H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.62E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta6 integrin receptor in human HT29 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50209455
PNG
((3R)-3-(2-(3-amino-5-(5-hydroxy-1,4,5,6-tetrahydro...)
Show SMILES Nc1cc(cc(c1)C(=O)NCC(=O)N[C@H](CC(O)=O)c1cc(Cl)cc(Br)c1O)N=C1NCC(O)CN1
Show InChI InChI=1S/C22H24BrClN6O6/c23-16-4-11(24)3-15(20(16)35)17(6-19(33)34)30-18(32)9-26-21(36)10-1-12(25)5-13(2-10)29-22-27-7-14(31)8-28-22/h1-5,14,17,31,35H,6-9,25H2,(H,26,36)(H,30,32)(H,33,34)(H2,27,28,29)/t17-/m1/s1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells


Bioorg Med Chem 15: 3783-800 (2007)


Article DOI: 10.1016/j.bmc.2007.03.034
BindingDB Entry DOI: 10.7270/Q25Q4VR4
More data for this
Ligand-Target Pair