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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'natile' and Initial = 'g'   
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
Translocator protein


(Rattus norvegicus (rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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PubMed
0.400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari"A. Moro"

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat C6 cell membrane after 90 mins by radioligand binding assay


ACS Med Chem Lett 5: 685-9 (2014)


Article DOI: 10.1021/ml5000788
BindingDB Entry DOI: 10.7270/Q26D5VKG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50408728
PNG
(CHEMBL339816)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(N)cccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN4O/c1-3-11-25(12-4-2)19(27)14-18-20(15-7-9-16(22)10-8-15)24-21-17(23)6-5-13-26(18)21/h5-10,13H,3-4,11-12,14,23H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari"A. Moro"

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat C6 cell membrane after 90 mins by radioligand binding assay


ACS Med Chem Lett 5: 685-9 (2014)


Article DOI: 10.1021/ml5000788
BindingDB Entry DOI: 10.7270/Q26D5VKG
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50021054
PNG
(CHEMBL3287610)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(NC(=O)CN(Cc3ccccn3)Cc3ccccn3)cccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H38ClN7O2/c1-3-19-42(20-4-2)33(45)22-31-34(26-13-15-27(36)16-14-26)40-35-30(12-9-21-43(31)35)39-32(44)25-41(23-28-10-5-7-17-37-28)24-29-11-6-8-18-38-29/h5-18,21H,3-4,19-20,22-25H2,1-2H3,(H,39,44)
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239n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari"A. Moro"

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat C6 cell membrane after 90 mins by radioligand binding assay


ACS Med Chem Lett 5: 685-9 (2014)


Article DOI: 10.1021/ml5000788
BindingDB Entry DOI: 10.7270/Q26D5VKG
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50204648
PNG
(2-(6,8-dichloro-2-(thiazol-2-yl)H-imidazo[1,2-a]py...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(Cl)cc(Cl)cn12)-c1nccs1
Show InChI InChI=1S/C18H20Cl2N4OS/c1-3-6-23(7-4-2)15(25)10-14-16(18-21-5-8-26-18)22-17-13(20)9-12(19)11-24(14)17/h5,8-9,11H,3-4,6-7,10H2,1-2H3
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n/an/a 2.81n/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]PK 11195 from PBR in Sprague-Dawley rat cerbral cortex


J Med Chem 50: 1019-27 (2007)


Article DOI: 10.1021/jm0612160
BindingDB Entry DOI: 10.7270/Q22J6BHW
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50216172
PNG
((Dichloro-phosphono-methyl)-phosphonic acid | CHEM...)
Show SMILES OP(O)(=O)C(Cl)(Cl)P(O)(O)=O
Show InChI InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
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n/an/a 1.21E+5n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12 after 1 hr


J Med Chem 50: 3434-41 (2007)


Article DOI: 10.1021/jm061435l
BindingDB Entry DOI: 10.7270/Q2G44Q0J
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50216172
PNG
((Dichloro-phosphono-methyl)-phosphonic acid | CHEM...)
Show SMILES OP(O)(=O)C(Cl)(Cl)P(O)(O)=O
Show InChI InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
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n/an/a 1.45E+5n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 after 1 hr


J Med Chem 50: 3434-41 (2007)


Article DOI: 10.1021/jm061435l
BindingDB Entry DOI: 10.7270/Q2G44Q0J
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50216172
PNG
((Dichloro-phosphono-methyl)-phosphonic acid | CHEM...)
Show SMILES OP(O)(=O)C(Cl)(Cl)P(O)(O)=O
Show InChI InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
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n/an/a 3.00E+5n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 after 1 hr


J Med Chem 50: 3434-41 (2007)


Article DOI: 10.1021/jm061435l
BindingDB Entry DOI: 10.7270/Q2G44Q0J
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50216172
PNG
((Dichloro-phosphono-methyl)-phosphonic acid | CHEM...)
Show SMILES OP(O)(=O)C(Cl)(Cl)P(O)(O)=O
Show InChI InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
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n/an/a 3.20E+5n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 after 1 hr


J Med Chem 50: 3434-41 (2007)


Article DOI: 10.1021/jm061435l
BindingDB Entry DOI: 10.7270/Q2G44Q0J
More data for this
Ligand-Target Pair