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Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'reagan' and Initial = 'jd'   
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
Probable G-protein coupled receptor 142


(Mus musculus)		BDBM50395775
PNG
(CHEMBL2164857)
Show SMILES CNc1cc(ccn1)-c1nnc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)s1 |r|
Show InChI InChI=1S/C21H21N7OS2/c1-22-18-10-15(7-8-23-18)20-27-28-21(31-20)26-19(29)17(9-14-5-3-2-4-6-14)24-11-16-12-30-13-25-16/h2-8,10,12-13,17,24H,9,11H2,1H3,(H,22,23)(H,26,28,29)/t17-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Partial agonist activity at mouse GPR142 expressed in HEK293 cells

Bioorg Med Chem Lett 22: 6218-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.015
BindingDB Entry DOI: 10.7270/Q2CN751R
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50440693
PNG
(CHEMBL2430983)
Show SMILES Cn1nc(cc1NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)-c1ccncc1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-25-18(12-16(24-25)15-7-9-21-10-8-15)23-20(28)17(22-13-19(26)27)11-14-5-3-2-4-6-14/h2-10,12,17,22H,11,13H2,1H3,(H,23,28)(H,26,27)/t17-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440693
PNG
(CHEMBL2430983)
Show SMILES Cn1nc(cc1NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)-c1ccncc1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-25-18(12-16(24-25)15-7-9-21-10-8-15)23-20(28)17(22-13-19(26)27)11-14-5-3-2-4-6-14/h2-10,12,17,22H,11,13H2,1H3,(H,23,28)(H,26,27)/t17-/m0/s1
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n/an/an/an/a 52n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440694
PNG
(CHEMBL2430987)
Show SMILES O=C(Nc1nnc(o1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C20H18N6O2S/c27-18(24-20-26-25-19(28-20)15-6-8-21-9-7-15)17(10-14-4-2-1-3-5-14)23-12-16-11-22-13-29-16/h1-9,11,13,17,23H,10,12H2,(H,24,26,27)/t17-/m0/s1
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n/an/an/an/a>3.30E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440695
PNG
(CHEMBL2430982)
Show SMILES CNc1cc(ccn1)-c1cc(NC(=O)[C@H](Cc2ccc(F)cc2)NCC(N)=O)n(C)n1 |r|
Show InChI InChI=1S/C21H24FN7O2/c1-24-19-10-14(7-8-25-19)16-11-20(29(2)28-16)27-21(31)17(26-12-18(23)30)9-13-3-5-15(22)6-4-13/h3-8,10-11,17,26H,9,12H2,1-2H3,(H2,23,30)(H,24,25)(H,27,31)/t17-/m0/s1
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n/an/an/an/a 78n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440696
PNG
(CHEMBL2430979)
Show SMILES CNc1cc(ccn1)-c1cc(NC(=O)[C@H](Cc2ccc(F)cc2)NCc2cnn[nH]2)n(C)n1 |r|
Show InChI InChI=1S/C22H24FN9O/c1-24-20-10-15(7-8-25-20)18-11-21(32(2)30-18)28-22(33)19(26-12-17-13-27-31-29-17)9-14-3-5-16(23)6-4-14/h3-8,10-11,13,19,26H,9,12H2,1-2H3,(H,24,25)(H,28,33)(H,27,29,31)/t19-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440697
PNG
(CHEMBL2430980)
Show SMILES CNc1cc(ccn1)-c1cc(NC(=O)[C@H](Cc2ccc(F)cc2)NCc2nnn[nH]2)n(C)n1 |r|
Show InChI InChI=1S/C21H23FN10O/c1-23-18-10-14(7-8-24-18)16-11-20(32(2)29-16)26-21(33)17(25-12-19-27-30-31-28-19)9-13-3-5-15(22)6-4-13/h3-8,10-11,17,25H,9,12H2,1-2H3,(H,23,24)(H,26,33)(H,27,28,30,31)/t17-/m0/s1
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n/an/an/an/a 71n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440698
PNG
(CHEMBL2431064)
Show SMILES O=C([C@H](Cc1ccccc1)NCc1cncs1)N1CCn2nc(cc12)-c1ccncc1 |r|
Show InChI InChI=1S/C23H22N6OS/c30-23(21(12-17-4-2-1-3-5-17)26-15-19-14-25-16-31-19)28-10-11-29-22(28)13-20(27-29)18-6-8-24-9-7-18/h1-9,13-14,16,21,26H,10-12,15H2/t21-/m0/s1
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n/an/an/an/a 2.78E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440699
PNG
(CHEMBL2430986)
Show SMILES O=C(Nc1nnc([nH]1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C20H19N7OS/c28-19(25-20-24-18(26-27-20)15-6-8-21-9-7-15)17(10-14-4-2-1-3-5-14)23-12-16-11-22-13-29-16/h1-9,11,13,17,23H,10,12H2,(H2,24,25,26,27,28)/t17-/m0/s1
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n/an/an/an/a 2.17E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440700
PNG
(CHEMBL2430984)
Show SMILES CCOC(=O)CN[C@@H](Cc1ccccc1)C(=O)Nc1cc(nn1C)-c1ccncc1 |r|
Show InChI InChI=1S/C22H25N5O3/c1-3-30-21(28)15-24-19(13-16-7-5-4-6-8-16)22(29)25-20-14-18(26-27(20)2)17-9-11-23-12-10-17/h4-12,14,19,24H,3,13,15H2,1-2H3,(H,25,29)/t19-/m0/s1
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n/an/an/an/a 95n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440701
PNG
(CHEMBL2431061)
Show SMILES OC(=O)c1cc(sc1NC(=O)[C@H](Cc1ccccc1)NCc1cncs1)-c1ccncc1 |r|
Show InChI InChI=1S/C23H20N4O3S2/c28-21(19(10-15-4-2-1-3-5-15)26-13-17-12-25-14-31-17)27-22-18(23(29)30)11-20(32-22)16-6-8-24-9-7-16/h1-9,11-12,14,19,26H,10,13H2,(H,27,28)(H,29,30)/t19-/m0/s1
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n/an/an/an/a 1.25E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440702
PNG
(CHEMBL2431059)
Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c27-20(26-21-25-19(13-28-21)16-6-8-22-9-7-16)18(10-15-4-2-1-3-5-15)24-12-17-11-23-14-29-17/h1-9,11,13-14,18,24H,10,12H2,(H,25,26,27)/t18-/m0/s1
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n/an/an/an/a 1.11E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440702
PNG
(CHEMBL2431059)
Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c27-20(26-21-25-19(13-28-21)16-6-8-22-9-7-16)18(10-15-4-2-1-3-5-15)24-12-17-11-23-14-29-17/h1-9,11,13-14,18,24H,10,12H2,(H,25,26,27)/t18-/m0/s1
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n/an/an/an/a 1.08E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440703
PNG
(CHEMBL2431058)
Show SMILES O=C(Nc1ncc(s1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c27-20(26-21-25-13-19(29-21)16-6-8-22-9-7-16)18(10-15-4-2-1-3-5-15)24-12-17-11-23-14-28-17/h1-9,11,13-14,18,24H,10,12H2,(H,25,26,27)/t18-/m0/s1
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n/an/an/an/a 1.04E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440704
PNG
(CHEMBL2430981)
Show SMILES CNc1cc(ccn1)-c1cc(NC(=O)[C@H](Cc2ccc(F)cc2)NCC(O)=O)n(C)n1 |r|
Show InChI InChI=1S/C21H23FN6O3/c1-23-18-10-14(7-8-24-18)16-11-19(28(2)27-16)26-21(31)17(25-12-20(29)30)9-13-3-5-15(22)6-4-13/h3-8,10-11,17,25H,9,12H2,1-2H3,(H,23,24)(H,26,31)(H,29,30)/t17-/m0/s1
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n/an/an/an/a 42n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440703
PNG
(CHEMBL2431058)
Show SMILES O=C(Nc1ncc(s1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c27-20(26-21-25-13-19(29-21)16-6-8-22-9-7-16)18(10-15-4-2-1-3-5-15)24-12-17-11-23-14-28-17/h1-9,11,13-14,18,24H,10,12H2,(H,25,26,27)/t18-/m0/s1
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n/an/an/an/a 734n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440705
PNG
(CHEMBL2431065)
Show SMILES OC(=O)Cn1nc(cc1NC(=O)[C@H](Cc1ccccc1)NCc1cncs1)-c1ccncc1 |r|
Show InChI InChI=1S/C23H22N6O3S/c30-22(31)14-29-21(11-19(28-29)17-6-8-24-9-7-17)27-23(32)20(10-16-4-2-1-3-5-16)26-13-18-12-25-15-33-18/h1-9,11-12,15,20,26H,10,13-14H2,(H,27,32)(H,30,31)/t20-/m0/s1
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n/an/an/an/a 516n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440706
PNG
(CHEMBL2431066)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C23H21N5O2S/c29-22-21(11-18(12-27-22)17-6-8-24-9-7-17)28-23(30)20(10-16-4-2-1-3-5-16)26-14-19-13-25-15-31-19/h1-9,11-13,15,20,26H,10,14H2,(H,27,29)(H,28,30)/t20-/m0/s1
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n/an/an/an/a 502n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440707
PNG
(CHEMBL2431060)
Show SMILES O=C(Nc1csc(n1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c27-20(25-19-13-28-21(26-19)16-6-8-22-9-7-16)18(10-15-4-2-1-3-5-15)24-12-17-11-23-14-29-17/h1-9,11,13-14,18,24H,10,12H2,(H,25,27)/t18-/m0/s1
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n/an/an/an/a 452n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440708
PNG
(CHEMBL2431067)
Show SMILES O=C(Nc1cc(no1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C21H19N5O2S/c27-21(25-20-11-18(26-28-20)16-6-8-22-9-7-16)19(10-15-4-2-1-3-5-15)24-13-17-12-23-14-29-17/h1-9,11-12,14,19,24H,10,13H2,(H,25,27)/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440707
PNG
(CHEMBL2431060)
Show SMILES O=C(Nc1csc(n1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c27-20(25-19-13-28-21(26-19)16-6-8-22-9-7-16)18(10-15-4-2-1-3-5-15)24-12-17-11-23-14-29-17/h1-9,11,13-14,18,24H,10,12H2,(H,25,27)/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440708
PNG
(CHEMBL2431067)
Show SMILES O=C(Nc1cc(no1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C21H19N5O2S/c27-21(25-20-11-18(26-28-20)16-6-8-22-9-7-16)19(10-15-4-2-1-3-5-15)24-13-17-12-23-14-29-17/h1-9,11-12,14,19,24H,10,13H2,(H,25,27)/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440709
PNG
(CHEMBL2431063)
Show SMILES FC(F)(F)Cn1nc(cc1NC(=O)[C@H](Cc1ccccc1)NCc1cncs1)-c1ccncc1 |r|
Show InChI InChI=1S/C23H21F3N6OS/c24-23(25,26)14-32-21(11-19(31-32)17-6-8-27-9-7-17)30-22(33)20(10-16-4-2-1-3-5-16)29-13-18-12-28-15-34-18/h1-9,11-12,15,20,29H,10,13-14H2,(H,30,33)/t20-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440710
PNG
(CHEMBL2430985)
Show SMILES O=C(Nc1cc(n[nH]1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C21H20N6OS/c28-21(25-20-11-18(26-27-20)16-6-8-22-9-7-16)19(10-15-4-2-1-3-5-15)24-13-17-12-23-14-29-17/h1-9,11-12,14,19,24H,10,13H2,(H2,25,26,27,28)/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440711
PNG
(CHEMBL2430988)
Show SMILES O=C(Nc1cnc(s1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c27-20(26-19-13-25-21(29-19)16-6-8-22-9-7-16)18(10-15-4-2-1-3-5-15)24-12-17-11-23-14-28-17/h1-9,11,13-14,18,24H,10,12H2,(H,26,27)/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440701
PNG
(CHEMBL2431061)
Show SMILES OC(=O)c1cc(sc1NC(=O)[C@H](Cc1ccccc1)NCc1cncs1)-c1ccncc1 |r|
Show InChI InChI=1S/C23H20N4O3S2/c28-21(19(10-15-4-2-1-3-5-15)26-13-17-12-25-14-31-17)27-22-18(23(29)30)11-20(32-22)16-6-8-24-9-7-16/h1-9,11-12,14,19,26H,10,13H2,(H,27,28)(H,29,30)/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440710
PNG
(CHEMBL2430985)
Show SMILES O=C(Nc1cc(n[nH]1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C21H20N6OS/c28-21(25-20-11-18(26-27-20)16-6-8-22-9-7-16)19(10-15-4-2-1-3-5-15)24-13-17-12-23-14-29-17/h1-9,11-12,14,19,24H,10,13H2,(H2,25,26,27,28)/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440711
PNG
(CHEMBL2430988)
Show SMILES O=C(Nc1cnc(s1)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C21H19N5OS2/c27-20(26-19-13-25-21(29-19)16-6-8-22-9-7-16)18(10-15-4-2-1-3-5-15)24-12-17-11-23-14-28-17/h1-9,11,13-14,18,24H,10,12H2,(H,26,27)/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440706
PNG
(CHEMBL2431066)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)[C@H](Cc1ccccc1)NCc1cncs1 |r|
Show InChI InChI=1S/C23H21N5O2S/c29-22-21(11-18(12-27-22)17-6-8-24-9-7-17)28-23(30)20(10-16-4-2-1-3-5-16)26-14-19-13-25-15-31-19/h1-9,11-13,15,20,26H,10,14H2,(H,27,29)(H,28,30)/t20-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440712
PNG
(CHEMBL2430978)
Show SMILES CNc1cc(ccn1)-c1cc(NC(=O)[C@H](Cc2ccc(F)cc2)NCc2cncs2)n(C)n1 |r|
Show InChI InChI=1S/C23H24FN7OS/c1-25-21-10-16(7-8-27-21)19-11-22(31(2)30-19)29-23(32)20(28-13-18-12-26-14-33-18)9-15-3-5-17(24)6-4-15/h3-8,10-12,14,20,28H,9,13H2,1-2H3,(H,25,27)(H,29,32)/t20-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440713
PNG
(CHEMBL2430977)
Show SMILES CNc1cc(ccn1)-c1cc(NC(=O)[C@H](Cc2ccccc2)NCc2cncs2)n(C)n1 |r|
Show InChI InChI=1S/C23H25N7OS/c1-24-21-11-17(8-9-26-21)19-12-22(30(2)29-19)28-23(31)20(10-16-6-4-3-5-7-16)27-14-18-13-25-15-32-18/h3-9,11-13,15,20,27H,10,14H2,1-2H3,(H,24,26)(H,28,31)/t20-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))		BDBM50440714
PNG
(CHEMBL2431062)
Show SMILES Cn1nc(cc1NC(=O)[C@H](Cc1ccccc1)NCc1cncs1)-c1ccncc1 |r|
Show InChI InChI=1S/C22H22N6OS/c1-28-21(12-19(27-28)17-7-9-23-10-8-17)26-22(29)20(11-16-5-3-2-4-6-16)25-14-18-13-24-15-30-18/h2-10,12-13,15,20,25H,11,14H2,1H3,(H,26,29)/t20-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillatio...

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)		BDBM50440693
PNG
(CHEMBL2430983)
Show SMILES Cn1nc(cc1NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)-c1ccncc1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-25-18(12-16(24-25)15-7-9-21-10-8-15)23-20(28)17(22-13-19(26)27)11-14-5-3-2-4-6-14/h2-10,12,17,22H,11,13H2,1H3,(H,23,28)(H,26,27)/t17-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142

ACS Med Chem Lett 4: 829-34 (2013)


Article DOI: 10.1021/ml4000854
BindingDB Entry DOI: 10.7270/Q2JM2C20
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299669
PNG
((R)-1-phenyl-N-((4-phenyl-1H-imidazol-2-yl)methyl)...)
Show SMILES C[C@@H](NCc1nc(cn1C)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H21N3/c1-15(16-9-5-3-6-10-16)20-13-19-21-18(14-22(19)2)17-11-7-4-8-12-17/h3-12,14-15,20H,13H2,1-2H3/t15-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299670
PNG
((R)-3-(2-chlorophenyl)-N-(1-(3-methoxyphenyl)ethyl...)
Show SMILES COc1cccc(c1)[C@@H](C)NCCCc1ccccc1Cl |r|
Show InChI InChI=1S/C18H22ClNO/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3/t14-/m1/s1
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n/an/an/an/a 194n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299671
PNG
((R)-N-((1-methyl-4-phenyl-1H-imidazol-2-yl)methyl)...)
Show SMILES C[C@@H](NCc1nc(c[nH]1)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H19N3/c1-14(15-8-4-2-5-9-15)19-13-18-20-12-17(21-18)16-10-6-3-7-11-16/h2-12,14,19H,13H2,1H3,(H,20,21)/t14-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299672
PNG
((R)-1-phenyl-N-((2-phenyl-1,3-thiazol-5-yl)methyl)...)
Show SMILES C[C@@H](NCc1cnc(s1)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H18N2S/c1-14(15-8-4-2-5-9-15)19-12-17-13-20-18(21-17)16-10-6-3-7-11-16/h2-11,13-14,19H,12H2,1H3/t14-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299673
PNG
((R)-1-phenyl-N-((4-phenyl-1,3-oxazol-2-yl)methyl)e...)
Show SMILES C[C@@H](NCc1nc(co1)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H18N2O/c1-14(15-8-4-2-5-9-15)19-12-18-20-17(13-21-18)16-10-6-3-7-11-16/h2-11,13-14,19H,12H2,1H3/t14-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299674
PNG
((R)-1-phenyl-N-((4-phenyl-1,3-thiazol-2-yl)methyl)...)
Show SMILES C[C@@H](NCc1nc(cs1)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H18N2S/c1-14(15-8-4-2-5-9-15)19-12-18-20-17(13-21-18)16-10-6-3-7-11-16/h2-11,13-14,19H,12H2,1H3/t14-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299675
PNG
((1R)-1-phenyl-N-((1-phenyl-1H-pyrazol-3-yl)methyl)...)
Show SMILES C[C@@H](NCc1ccn(n1)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H19N3/c1-15(16-8-4-2-5-9-16)19-14-17-12-13-21(20-17)18-10-6-3-7-11-18/h2-13,15,19H,14H2,1H3/t15-/m1/s1
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n/an/an/an/a 1.58E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299676
PNG
((1R)-1-phenyl-N-((1R)-1-(1-(4-(trifluoromethyl)phe...)
Show SMILES C[C@@H](N[C@H](C)c1ccccc1)c1ccn(n1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N3/c1-14(16-6-4-3-5-7-16)24-15(2)19-12-13-26(25-19)18-10-8-17(9-11-18)20(21,22)23/h3-15,24H,1-2H3/t14-,15-/m1/s1
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n/an/an/an/a 233n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299677
PNG
((1R)-N-((1R)-1-phenylethyl)-1-(1-(4-(trifluorometh...)
Show SMILES CC[C@@H](N[C@H](C)c1ccccc1)c1ccn(n1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N3/c1-3-19(25-15(2)16-7-5-4-6-8-16)20-13-14-27(26-20)18-11-9-17(10-12-18)21(22,23)24/h4-15,19,25H,3H2,1-2H3/t15-,19-/m1/s1
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n/an/an/an/a 1.18E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299678
PNG
((1R)-2-methyl-N-((1R)-1-phenylethyl)-1-(1-(4-(trif...)
Show SMILES CC(C)[C@@H](N[C@H](C)c1ccccc1)c1ccn(n1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H24F3N3/c1-15(2)21(26-16(3)17-7-5-4-6-8-17)20-13-14-28(27-20)19-11-9-18(10-12-19)22(23,24)25/h4-16,21,26H,1-3H3/t16-,21-/m1/s1
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n/an/an/an/a 2.34E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299679
PNG
((1R)-1-(3-fluorophenyl)-N-((1-(4-(trifluoromethyl)...)
Show SMILES C[C@@H](N[C@H](C)c1cccc(F)c1)c1ccn(n1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N3/c1-13(15-4-3-5-17(21)12-15)25-14(2)19-10-11-27(26-19)18-8-6-16(7-9-18)20(22,23)24/h3-14,25H,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 148n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299680
PNG
((1R)-1-(3-chlorophenyl)-N-((1-(4-(trifluoromethyl)...)
Show SMILES C[C@@H](N[C@H](C)c1cccc(Cl)c1)c1ccn(n1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19ClF3N3/c1-13(15-4-3-5-17(21)12-15)25-14(2)19-10-11-27(26-19)18-8-6-16(7-9-18)20(22,23)24/h3-14,25H,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 92n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299681
PNG
((R)-N-((R)-1-(5-methoxy-1-(4-(trifluoromethyl)phen...)
Show SMILES COc1cc(nn1-c1ccc(cc1)C(F)(F)F)[C@@H](C)N[C@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C21H22F3N3O/c1-14(16-7-5-4-6-8-16)25-15(2)19-13-20(28-3)27(26-19)18-11-9-17(10-12-18)21(22,23)24/h4-15,25H,1-3H3/t14-,15-/m1/s1
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n/an/an/an/a 70n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299682
PNG
((1R)-1-(3-chlorophenyl)-N-((1R)-1-(5-methoxy-1-(4-...)
Show SMILES COc1cc(nn1-c1ccc(cc1)C(F)(F)F)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H21ClF3N3O/c1-13(15-5-4-6-17(22)11-15)26-14(2)19-12-20(29-3)28(27-19)18-9-7-16(8-10-18)21(23,24)25/h4-14,26H,1-3H3/t13-,14-/m1/s1
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n/an/an/an/a 41n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299683
PNG
(1(R)-1-(1-(4-bromophenyl)-5-methoxy-1H-pyrazol-3-y...)
Show SMILES COc1cc(nn1-c1ccc(Br)cc1)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H21BrClN3O/c1-13(15-5-4-6-17(22)11-15)23-14(2)19-12-20(26-3)25(24-19)18-9-7-16(21)8-10-18/h4-14,23H,1-3H3/t13-,14-/m1/s1
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n/an/an/an/a 23n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299684
PNG
((1R)-1-(3-chlorophenyl)-N-((1R)-1-(1-(3-chlorophen...)
Show SMILES COc1cc(nn1-c1cccc(Cl)c1)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H21Cl2N3O/c1-13(15-6-4-7-16(21)10-15)23-14(2)19-12-20(26-3)25(24-19)18-9-5-8-17(22)11-18/h4-14,23H,1-3H3/t13-,14-/m1/s1
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n/an/an/an/a 57n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299685
PNG
(4-(3-((R)-1-((R)-1-(3-chlorophenyl)ethylamino)ethy...)
Show SMILES COc1cc(nn1-c1ccc(cc1)C(O)=O)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H22ClN3O3/c1-13(16-5-4-6-17(22)11-16)23-14(2)19-12-20(28-3)25(24-19)18-9-7-15(8-10-18)21(26)27/h4-14,23H,1-3H3,(H,26,27)/t13-,14-/m1/s1
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n/an/an/an/a 1.92E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
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