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PubMed code 27190599

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 4


(Homo sapiens (Human))		BDBM50175290
PNG
(CHEMBL3810385)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2Nc3ccc(CN4CCCCC4)cc3CCc2c1
Show InChI InChI=1S/C31H37N5/c1-4-29-34-30-21(2)16-22(3)32-31(30)36(29)20-24-9-13-28-26(18-24)11-10-25-17-23(8-12-27(25)33-28)19-35-14-6-5-7-15-35/h8-9,12-13,16-18,33H,4-7,10-11,14-15,19-20H2,1-3H3
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n/an/a 67n/an/an/an/a7.2n/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...

ACS Med Chem Lett 7: 493-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00014
BindingDB Entry DOI: 10.7270/Q2833TZR
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50175288
PNG
(CHEMBL3809413)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2Nc3ccc(CN4CCN(C)CC4)cc3CCc2c1
Show InChI InChI=1S/C31H38N6/c1-5-29-34-30-21(2)16-22(3)32-31(30)37(29)20-24-7-11-28-26(18-24)9-8-25-17-23(6-10-27(25)33-28)19-36-14-12-35(4)13-15-36/h6-7,10-11,16-18,33H,5,8-9,12-15,19-20H2,1-4H3
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n/an/a 130n/an/an/an/a7.2n/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...

ACS Med Chem Lett 7: 493-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00014
BindingDB Entry DOI: 10.7270/Q2833TZR
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50175289
PNG
(CHEMBL3810032)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2Nc3ccccc3CCc2c1
Show InChI InChI=1S/C25H26N4/c1-4-23-28-24-16(2)13-17(3)26-25(24)29(23)15-18-9-12-22-20(14-18)11-10-19-7-5-6-8-21(19)27-22/h5-9,12-14,27H,4,10-11,15H2,1-3H3
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n/an/a 900n/an/an/an/a7.2n/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...

ACS Med Chem Lett 7: 493-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00014
BindingDB Entry DOI: 10.7270/Q2833TZR
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50175293
PNG
(CHEMBL3808576)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2Nc3ccccc3Sc2c1
Show InChI InChI=1S/C23H22N4S/c1-4-21-26-22-14(2)11-15(3)24-23(22)27(21)13-16-9-10-18-20(12-16)28-19-8-6-5-7-17(19)25-18/h5-12,25H,4,13H2,1-3H3
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n/an/a 910n/an/an/an/a7.2n/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...

ACS Med Chem Lett 7: 493-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00014
BindingDB Entry DOI: 10.7270/Q2833TZR
More data for this
Ligand-Target Pair
Psychosine receptor


(Homo sapiens (Human))		BDBM50175290
PNG
(CHEMBL3810385)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2Nc3ccc(CN4CCCCC4)cc3CCc2c1
Show InChI InChI=1S/C31H37N5/c1-4-29-34-30-21(2)16-22(3)32-31(30)36(29)20-24-9-13-28-26(18-24)11-10-25-17-23(8-12-27(25)33-28)19-35-14-6-5-7-15-35/h8-9,12-13,16-18,33H,4-7,10-11,14-15,19-20H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/a7.2n/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged TDAG8 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP res...

ACS Med Chem Lett 7: 493-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00014
BindingDB Entry DOI: 10.7270/Q2833TZR
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50175292
PNG
(CHEMBL3810150)
Show SMILES C(c1ccc2Nc3ccccc3CCc2c1)n1cnc2ccccc12
Show InChI InChI=1S/C22H19N3/c1-2-6-19-17(5-1)10-11-18-13-16(9-12-20(18)24-19)14-25-15-23-21-7-3-4-8-22(21)25/h1-9,12-13,15,24H,10-11,14H2
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n/an/a>1.00E+4n/an/an/an/a7.2n/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...

ACS Med Chem Lett 7: 493-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00014
BindingDB Entry DOI: 10.7270/Q2833TZR
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50175294
PNG
(CHEMBL3727521)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C23H24N4/c1-4-21-26-22-16(2)14-17(3)24-23(22)27(21)15-18-10-12-20(13-11-18)25-19-8-6-5-7-9-19/h5-14,25H,4,15H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/a7.2n/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...

ACS Med Chem Lett 7: 493-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00014
BindingDB Entry DOI: 10.7270/Q2833TZR
More data for this
Ligand-Target Pair
Ovarian cancer G-protein coupled receptor 1


(Homo sapiens (Human))		BDBM50175290
PNG
(CHEMBL3810385)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2Nc3ccc(CN4CCCCC4)cc3CCc2c1
Show InChI InChI=1S/C31H37N5/c1-4-29-34-30-21(2)16-22(3)32-31(30)36(29)20-24-9-13-28-26(18-24)11-10-25-17-23(8-12-27(25)33-28)19-35-14-6-5-7-15-35/h8-9,12-13,16-18,33H,4-7,10-11,14-15,19-20H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/a7.2n/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged OGR1 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent nuclear factor of ...

ACS Med Chem Lett 7: 493-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00014
BindingDB Entry DOI: 10.7270/Q2833TZR
More data for this
Ligand-Target Pair
G-protein coupled receptor 4


(Homo sapiens (Human))		BDBM50175291
PNG
(CHEMBL3809249)
Show SMILES CCc1nc2ccccc2n1Cc1ccc2Nc3ccccc3CCc2c1
Show InChI InChI=1S/C24H23N3/c1-2-24-26-22-9-5-6-10-23(22)27(24)16-17-11-14-21-19(15-17)13-12-18-7-3-4-8-20(18)25-21/h3-11,14-15,25H,2,12-13,16H2,1H3
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n/an/a>1.00E+4n/an/an/an/a7.2n/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...

ACS Med Chem Lett 7: 493-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00014
BindingDB Entry DOI: 10.7270/Q2833TZR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%