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PubMed code 15745815

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50162755
PNG
((S)-3-(6-Methoxy-pyridin-3-yl)-7-oxo-9-(5,6,7,8-te...)
Show SMILES COc1ccc(cn1)[C@@H](CCCC(=O)CCc1ccc2CCCNc2n1)CC(O)=O
Show InChI InChI=1S/C23H29N3O4/c1-30-21-12-8-18(15-25-21)17(14-22(28)29)4-2-6-20(27)11-10-19-9-7-16-5-3-13-24-23(16)26-19/h7-9,12,15,17H,2-6,10-11,13-14H2,1H3,(H,24,26)(H,28,29)/t17-/m0/s1
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Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 2(S)-(4-125-iodo-benzenesulfonylamino)-3-4-[2-(5,6,7,8-tetrahydro- [1,8]naphthyridin-2-yl)-ethyl]-benzoylamino-propionic acid binding t...


Bioorg Med Chem Lett 15: 1647-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.051
BindingDB Entry DOI: 10.7270/Q25D8RBX
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50162757
PNG
((3S,7S)-7-Hydroxy-3-(6-methoxy-pyridin-3-yl)-9-(5,...)
Show SMILES COc1ccc(cn1)[C@@H](CCC[C@H](O)CCc1ccc2CCCNc2n1)CC(O)=O
Show InChI InChI=1S/C23H31N3O4/c1-30-21-12-8-18(15-25-21)17(14-22(28)29)4-2-6-20(27)11-10-19-9-7-16-5-3-13-24-23(16)26-19/h7-9,12,15,17,20,27H,2-6,10-11,13-14H2,1H3,(H,24,26)(H,28,29)/t17-,20-/m0/s1
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Article
PubMed
n/an/a 0.240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 2(S)-(4-125-iodo-benzenesulfonylamino)-3-4-[2-(5,6,7,8-tetrahydro- [1,8]naphthyridin-2-yl)-ethyl]-benzoylamino-propionic acid binding t...


Bioorg Med Chem Lett 15: 1647-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.051
BindingDB Entry DOI: 10.7270/Q25D8RBX
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50162756
PNG
((3S,7R)-7-Hydroxy-3-(6-methoxy-pyridin-3-yl)-9-(5,...)
Show SMILES COc1ccc(cn1)[C@@H](CCC[C@@H](O)CCc1ccc2CCCNc2n1)CC(O)=O
Show InChI InChI=1S/C23H31N3O4/c1-30-21-12-8-18(15-25-21)17(14-22(28)29)4-2-6-20(27)11-10-19-9-7-16-5-3-13-24-23(16)26-19/h7-9,12,15,17,20,27H,2-6,10-11,13-14H2,1H3,(H,24,26)(H,28,29)/t17-,20+/m0/s1
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Article
PubMed
n/an/a 0.240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 2(S)-(4-125-iodo-benzenesulfonylamino)-3-4-[2-(5,6,7,8-tetrahydro- [1,8]naphthyridin-2-yl)-ethyl]-benzoylamino-propionic acid binding t...


Bioorg Med Chem Lett 15: 1647-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.051
BindingDB Entry DOI: 10.7270/Q25D8RBX
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50153030
PNG
((S)-3-(6-Methoxy-pyridin-3-yl)-9-(5,6,7,8-tetrahyd...)
Show SMILES COc1ccc(cn1)[C@@H](CCCCCCc1ccc2CCCNc2n1)CC(O)=O
Show InChI InChI=1S/C23H31N3O3/c1-29-21-13-11-19(16-25-21)18(15-22(27)28)7-4-2-3-5-9-20-12-10-17-8-6-14-24-23(17)26-20/h10-13,16,18H,2-9,14-15H2,1H3,(H,24,26)(H,27,28)/t18-/m0/s1
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Article
PubMed
n/an/a 0.650n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 2(S)-(4-125-iodo-benzenesulfonylamino)-3-4-[2-(5,6,7,8-tetrahydro- [1,8]naphthyridin-2-yl)-ethyl]-benzoylamino-propionic acid binding t...


Bioorg Med Chem Lett 15: 1647-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.051
BindingDB Entry DOI: 10.7270/Q25D8RBX
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50162755
PNG
((S)-3-(6-Methoxy-pyridin-3-yl)-7-oxo-9-(5,6,7,8-te...)
Show SMILES COc1ccc(cn1)[C@@H](CCCC(=O)CCc1ccc2CCCNc2n1)CC(O)=O
Show InChI InChI=1S/C23H29N3O4/c1-30-21-12-8-18(15-25-21)17(14-22(28)29)4-2-6-20(27)11-10-19-9-7-16-5-3-13-24-23(16)26-19/h7-9,12,15,17H,2-6,10-11,13-14H2,1H3,(H,24,26)(H,28,29)/t17-/m0/s1
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alphaIIb-beta3 integrin mediated platelet aggregation (PLAGGIN15)


Bioorg Med Chem Lett 15: 1647-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.051
BindingDB Entry DOI: 10.7270/Q25D8RBX
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50162757
PNG
((3S,7S)-7-Hydroxy-3-(6-methoxy-pyridin-3-yl)-9-(5,...)
Show SMILES COc1ccc(cn1)[C@@H](CCC[C@H](O)CCc1ccc2CCCNc2n1)CC(O)=O
Show InChI InChI=1S/C23H31N3O4/c1-30-21-12-8-18(15-25-21)17(14-22(28)29)4-2-6-20(27)11-10-19-9-7-16-5-3-13-24-23(16)26-19/h7-9,12,15,17,20,27H,2-6,10-11,13-14H2,1H3,(H,24,26)(H,28,29)/t17-,20-/m0/s1
PDB

KEGG

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alphaIIb-beta3 integrin mediated platelet aggregation (PLAGGIN15)


Bioorg Med Chem Lett 15: 1647-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.051
BindingDB Entry DOI: 10.7270/Q25D8RBX
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50162756
PNG
((3S,7R)-7-Hydroxy-3-(6-methoxy-pyridin-3-yl)-9-(5,...)
Show SMILES COc1ccc(cn1)[C@@H](CCC[C@@H](O)CCc1ccc2CCCNc2n1)CC(O)=O
Show InChI InChI=1S/C23H31N3O4/c1-30-21-12-8-18(15-25-21)17(14-22(28)29)4-2-6-20(27)11-10-19-9-7-16-5-3-13-24-23(16)26-19/h7-9,12,15,17,20,27H,2-6,10-11,13-14H2,1H3,(H,24,26)(H,28,29)/t17-,20+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of alphaIIb-beta3 integrin mediated platelet aggregation (PLAGGIN15)


Bioorg Med Chem Lett 15: 1647-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.051
BindingDB Entry DOI: 10.7270/Q25D8RBX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%