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PubMed code 24900608

Compile data set for download or QSAR
Found 9 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
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50443617
PNG
(CHEMBL3092410)
Show SMILES CCc1ncc(CN2C[C@H]([C@@H](C2)c2cccnc2)C(=O)NCc2ccccc2Cl)[nH]1 |r|
Show InChI InChI=1S/C23H26ClN5O/c1-2-22-26-12-18(28-22)13-29-14-19(16-7-5-9-25-10-16)20(15-29)23(30)27-11-17-6-3-4-8-21(17)24/h3-10,12,19-20H,2,11,13-15H2,1H3,(H,26,28)(H,27,30)/t19-,20+/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed as increase of Zn2+-induced intracellular Ca+2 mobilization after 1 hr...

ACS Med Chem Lett 4: 1079-84 (2013)


Article DOI: 10.1021/ml400275z
BindingDB Entry DOI: 10.7270/Q2B27WS4
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50443616
PNG
(CHEMBL3092413)
Show SMILES Clc1ccc2nc(CN3CCN(CC3)c3ccc(cn3)C#N)cn2c1
Show InChI InChI=1S/C18H17ClN6/c19-15-2-4-18-22-16(13-25(18)11-15)12-23-5-7-24(8-6-23)17-3-1-14(9-20)10-21-17/h1-4,10-11,13H,5-8,12H2
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n/an/an/an/a 1.20E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed as increase of Zn2+-induced cAMP production preincubated for 30 mins m...

ACS Med Chem Lett 4: 1079-84 (2013)


Article DOI: 10.1021/ml400275z
BindingDB Entry DOI: 10.7270/Q2B27WS4
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50443616
PNG
(CHEMBL3092413)
Show SMILES Clc1ccc2nc(CN3CCN(CC3)c3ccc(cn3)C#N)cn2c1
Show InChI InChI=1S/C18H17ClN6/c19-15-2-4-18-22-16(13-25(18)11-15)12-23-5-7-24(8-6-23)17-3-1-14(9-20)10-21-17/h1-4,10-11,13H,5-8,12H2
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n/an/an/an/a 900n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR39 in human HT-29 cells assessed as increase in intracellular Ca2+ mobilization after 72 hrs by FLIPR assay

ACS Med Chem Lett 4: 1079-84 (2013)


Article DOI: 10.1021/ml400275z
BindingDB Entry DOI: 10.7270/Q2B27WS4
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50443618
PNG
(CHEMBL3092411)
Show SMILES CCc1ncc(CN2C[C@@H]([C@H](C2)c2cccnc2)C(=O)NCc2ccccc2Cl)[nH]1 |r|
Show InChI InChI=1S/C23H26ClN5O/c1-2-22-26-12-18(28-22)13-29-14-19(16-7-5-9-25-10-16)20(15-29)23(30)27-11-17-6-3-4-8-21(17)24/h3-10,12,19-20H,2,11,13-15H2,1H3,(H,26,28)(H,27,30)/t19-,20+/m1/s1
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n/an/an/an/a 320n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed as increase of Zn2+-induced intracellular Ca+2 mobilization after 1 hr...

ACS Med Chem Lett 4: 1079-84 (2013)


Article DOI: 10.1021/ml400275z
BindingDB Entry DOI: 10.7270/Q2B27WS4
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50443619
PNG
(CHEMBL3092412)
Show SMILES COc1cccc(c1)[C@@H]1CCN(CCc2ccccc2)C[C@H]1C(=O)NCCc1ccccn1 |r|
Show InChI InChI=1S/C28H33N3O2/c1-33-25-12-7-10-23(20-25)26-15-19-31(18-14-22-8-3-2-4-9-22)21-27(26)28(32)30-17-13-24-11-5-6-16-29-24/h2-12,16,20,26-27H,13-15,17-19,21H2,1H3,(H,30,32)/t26-,27+/m0/s1
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n/an/an/an/a 3.10E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed as increase of Zn2+-induced intracellular Ca+2 mobilization after 1 hr...

ACS Med Chem Lett 4: 1079-84 (2013)


Article DOI: 10.1021/ml400275z
BindingDB Entry DOI: 10.7270/Q2B27WS4
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50443619
PNG
(CHEMBL3092412)
Show SMILES COc1cccc(c1)[C@@H]1CCN(CCc2ccccc2)C[C@H]1C(=O)NCCc1ccccn1 |r|
Show InChI InChI=1S/C28H33N3O2/c1-33-25-12-7-10-23(20-25)26-15-19-31(18-14-22-8-3-2-4-9-22)21-27(26)28(32)30-17-13-24-11-5-6-16-29-24/h2-12,16,20,26-27H,13-15,17-19,21H2,1H3,(H,30,32)/t26-,27+/m0/s1
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n/an/an/an/a 4.50E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed as increase of Zn2+-induced cAMP production preincubated for 30 mins m...

ACS Med Chem Lett 4: 1079-84 (2013)


Article DOI: 10.1021/ml400275z
BindingDB Entry DOI: 10.7270/Q2B27WS4
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50443616
PNG
(CHEMBL3092413)
Show SMILES Clc1ccc2nc(CN3CCN(CC3)c3ccc(cn3)C#N)cn2c1
Show InChI InChI=1S/C18H17ClN6/c19-15-2-4-18-22-16(13-25(18)11-15)12-23-5-7-24(8-6-23)17-3-1-14(9-20)10-21-17/h1-4,10-11,13H,5-8,12H2
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n/an/an/an/a 56n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed as increase of Zn2+-induced intracellular Ca+2 mobilization after 1 hr...

ACS Med Chem Lett 4: 1079-84 (2013)


Article DOI: 10.1021/ml400275z
BindingDB Entry DOI: 10.7270/Q2B27WS4
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50443617
PNG
(CHEMBL3092410)
Show SMILES CCc1ncc(CN2C[C@H]([C@@H](C2)c2cccnc2)C(=O)NCc2ccccc2Cl)[nH]1 |r|
Show InChI InChI=1S/C23H26ClN5O/c1-2-22-26-12-18(28-22)13-29-14-19(16-7-5-9-25-10-16)20(15-29)23(30)27-11-17-6-3-4-8-21(17)24/h3-10,12,19-20H,2,11,13-15H2,1H3,(H,26,28)(H,27,30)/t19-,20+/m0/s1
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n/an/an/an/a 840n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed as increase of Zn2+-induced cAMP production preincubated for 30 mins m...

ACS Med Chem Lett 4: 1079-84 (2013)


Article DOI: 10.1021/ml400275z
BindingDB Entry DOI: 10.7270/Q2B27WS4
More data for this
Ligand-Target Pair
G-protein coupled receptor 39


(Homo sapiens (Human))		BDBM50443618
PNG
(CHEMBL3092411)
Show SMILES CCc1ncc(CN2C[C@@H]([C@H](C2)c2cccnc2)C(=O)NCc2ccccc2Cl)[nH]1 |r|
Show InChI InChI=1S/C23H26ClN5O/c1-2-22-26-12-18(28-22)13-29-14-19(16-7-5-9-25-10-16)20(15-29)23(30)27-11-17-6-3-4-8-21(17)24/h3-10,12,19-20H,2,11,13-15H2,1H3,(H,26,28)(H,27,30)/t19-,20+/m1/s1
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n/an/an/an/a 310n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed as increase of Zn2+-induced cAMP production preincubated for 30 mins m...

ACS Med Chem Lett 4: 1079-84 (2013)


Article DOI: 10.1021/ml400275z
BindingDB Entry DOI: 10.7270/Q2B27WS4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%