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Compile Data Set for Download or QSAR

Found 119 hits with Last Name = 'shindo' and Initial = 'm'   
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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153465
PNG
(2-{3-[3-(2,5-Dioxo-4-phenylamino-2,5-dihydro-1H-py...)
Show SMILES NC(=N)SCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:10|
Show InChI InChI=1S/C22H21N5O2S/c23-22(24)30-12-6-11-27-13-16(15-9-4-5-10-17(15)27)18-19(21(29)26-20(18)28)25-14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H3,23,24)(H2,25,26,28,29)
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n/an/a 2n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50337114
PNG
(2'-((1R)-1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22-,28-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay


ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 1


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153461
PNG
(3-(1-(3-imidazol-1-ylpropyl)-1H-indol-3-yl)-4-anil...)
Show SMILES O=C1NC(=O)C(=C1Nc1ccccc1)c1cn(CCCn2ccnc2)c2ccccc12 |c:5|
Show InChI InChI=1S/C24H21N5O2/c30-23-21(22(24(31)27-23)26-17-7-2-1-3-8-17)19-15-29(20-10-5-4-9-18(19)20)13-6-12-28-14-11-25-16-28/h1-5,7-11,14-16H,6,12-13H2,(H2,26,27,30,31)
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n/an/a 5n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50337116
PNG
(2'-((1R)-1-{(2R)-3-[2-methyl-1-(naphthalen-2-yl)pr...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C33H37NO4/c1-22-17-27(15-16-29(22)32(36)37)31-12-8-7-11-30(31)23(2)38-21-28(35)20-34-33(3,4)19-24-13-14-25-9-5-6-10-26(25)18-24/h5-18,23,28,34-35H,19-21H2,1-4H3,(H,36,37)/t23-,28-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay


ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153448
PNG
(3-(3-Chloro-phenylamino)-4-[1-(3-dimethylamino-pro...)
Show SMILES CN(C)CCCn1cc(C2=C(Nc3cccc(Cl)c3)C(=O)NC2=O)c2ccccc12 |c:9|
Show InChI InChI=1S/C23H23ClN4O2/c1-27(2)11-6-12-28-14-18(17-9-3-4-10-19(17)28)20-21(23(30)26-22(20)29)25-16-8-5-7-15(24)13-16/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H2,25,26,29,30)
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n/an/a 10n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50337113
PNG
((RS)-2'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,28-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay


ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50337103
PNG
(2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay


ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153463
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indol-3-yl]-4-phe...)
Show SMILES CN(C)CCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:9|
Show InChI InChI=1S/C23H24N4O2/c1-26(2)13-8-14-27-15-18(17-11-6-7-12-19(17)27)20-21(23(29)25-22(20)28)24-16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3,(H2,24,25,28,29)
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n/an/a 12n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153452
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-indol-3-yl]-4-m-t...)
Show SMILES CN(C)CCCn1cc(C2=C(Nc3cccc(C)c3)C(=O)NC2=O)c2ccccc12 |c:9|
Show InChI InChI=1S/C24H26N4O2/c1-16-8-6-9-17(14-16)25-22-21(23(29)26-24(22)30)19-15-28(13-7-12-27(2)3)20-11-5-4-10-18(19)20/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H2,25,26,29,30)
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n/an/a 15n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153453
PNG
(3-[1-(4-Dimethylamino-butyl)-1H-indol-3-yl]-4-phen...)
Show SMILES CN(C)CCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:10|
Show InChI InChI=1S/C24H26N4O2/c1-27(2)14-8-9-15-28-16-19(18-12-6-7-13-20(18)28)21-22(24(30)26-23(21)29)25-17-10-4-3-5-11-17/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H2,25,26,29,30)
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n/an/a 15n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153455
PNG
(3-Phenylamino-4-[1-(3-piperidin-1-yl-propyl)-1H-in...)
Show SMILES O=C1NC(=O)C(=C1Nc1ccccc1)c1cn(CCCN2CCCCC2)c2ccccc12 |c:5|
Show InChI InChI=1S/C26H28N4O2/c31-25-23(24(26(32)28-25)27-19-10-3-1-4-11-19)21-18-30(22-13-6-5-12-20(21)22)17-9-16-29-14-7-2-8-15-29/h1,3-6,10-13,18H,2,7-9,14-17H2,(H2,27,28,31,32)
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n/an/a 17n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50337112
PNG
((RS)-3'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc(c1)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C32H35NO4/c1-22(27-9-6-10-29(18-27)25-13-15-26(16-14-25)31(35)36)37-21-30(34)20-33-32(2,3)19-23-11-12-24-7-4-5-8-28(24)17-23/h4-18,22,30,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,30-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay


ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153466
PNG
(3-Phenylamino-4-[1-(3-pyrrolidin-1-yl-propyl)-1H-i...)
Show SMILES O=C1NC(=O)C(=C1Nc1ccccc1)c1cn(CCCN2CCCC2)c2ccccc12 |c:5|
Show InChI InChI=1S/C25H26N4O2/c30-24-22(23(25(31)27-24)26-18-9-2-1-3-10-18)20-17-29(21-12-5-4-11-19(20)21)16-8-15-28-13-6-7-14-28/h1-5,9-12,17H,6-8,13-16H2,(H2,26,27,30,31)
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n/an/a 18n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50337105
PNG
((R)-1-((R)-cyclopropyl(2-(hydroxymethyl)phenyl)met...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)CO[C@H](C1CC1)c1ccccc1CO |r|
Show InChI InChI=1S/C28H35NO3/c1-28(2,16-20-11-12-21-7-3-4-8-23(21)15-20)29-17-25(31)19-32-27(22-13-14-22)26-10-6-5-9-24(26)18-30/h3-12,15,22,25,27,29-31H,13-14,16-19H2,1-2H3/t25-,27-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay


ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153461
PNG
(3-(1-(3-imidazol-1-ylpropyl)-1H-indol-3-yl)-4-anil...)
Show SMILES O=C1NC(=O)C(=C1Nc1ccccc1)c1cn(CCCn2ccnc2)c2ccccc12 |c:5|
Show InChI InChI=1S/C24H21N5O2/c30-23-21(22(24(31)27-23)26-17-7-2-1-3-8-17)19-15-29(20-10-5-4-9-18(19)20)13-6-12-28-14-11-25-16-28/h1-5,7-11,14-16H,6,12-13H2,(H2,26,27,30,31)
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n/an/a 21n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 1


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50337115
PNG
(2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C28H31ClFNO4/c1-18(23-6-4-5-7-24(23)20-9-11-21(12-10-20)27(33)34)35-17-22(32)16-31-28(2,3)15-19-8-13-25(29)26(30)14-19/h4-14,18,22,31-32H,15-17H2,1-3H3,(H,33,34)/t18-,22-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay


ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320009
PNG
((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)
Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay


ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320009
PNG
((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)
Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153457
PNG
(3-{1-[3-(4-Methyl-piperazin-1-yl)-propyl]-1H-indol...)
Show SMILES CN1CCN(CCCn2cc(C3=C(Nc4ccccc4)C(=O)NC3=O)c3ccccc23)CC1 |c:11|
Show InChI InChI=1S/C26H29N5O2/c1-29-14-16-30(17-15-29)12-7-13-31-18-21(20-10-5-6-11-22(20)31)23-24(26(33)28-25(23)32)27-19-8-3-2-4-9-19/h2-6,8-11,18H,7,12-17H2,1H3,(H2,27,28,32,33)
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n/an/a 23n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50337104
PNG
(3-[2-((1R)-1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphth...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1CCC(O)=O |r|
Show InChI InChI=1S/C28H35NO4/c1-20(26-11-7-6-9-23(26)14-15-27(31)32)33-19-25(30)18-29-28(2,3)17-21-12-13-22-8-4-5-10-24(22)16-21/h4-13,16,20,25,29-30H,14-15,17-19H2,1-3H3,(H,31,32)/t20-,25-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay


ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50161093
PNG
((R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthale...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N |r|
Show InChI InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50153465
PNG
(2-{3-[3-(2,5-Dioxo-4-phenylamino-2,5-dihydro-1H-py...)
Show SMILES NC(=N)SCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:10|
Show InChI InChI=1S/C22H21N5O2S/c23-22(24)30-12-6-11-27-13-16(15-9-4-5-10-17(15)27)18-19(21(29)26-20(18)28)25-14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H3,23,24)(H2,25,26,28,29)
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n/an/a 27n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C alpha


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153458
PNG
(3-[1-(2-Dimethylamino-ethyl)-1H-indol-3-yl]-4-phen...)
Show SMILES CN(C)CCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:8|
Show InChI InChI=1S/C22H22N4O2/c1-25(2)12-13-26-14-17(16-10-6-7-11-18(16)26)19-20(22(28)24-21(19)27)23-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H2,23,24,27,28)
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n/an/a 28n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153462
PNG
(3-[1-(3-Hydroxy-propyl)-1H-indol-3-yl]-4-phenylami...)
Show SMILES OCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:7|
Show InChI InChI=1S/C21H19N3O3/c25-12-6-11-24-13-16(15-9-4-5-10-17(15)24)18-19(21(27)23-20(18)26)22-14-7-2-1-3-8-14/h1-5,7-10,13,25H,6,11-12H2,(H2,22,23,26,27)
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n/an/a 30n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320009
PNG
((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)
Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320018
PNG
((2R)-1-(cyclopropyl(2-methoxyphenyl)methoxy)-3-(2-...)
Show SMILES COc1ccccc1C(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO3/c1-28(2,17-20-12-13-21-8-4-5-9-23(21)16-20)29-18-24(30)19-32-27(22-14-15-22)25-10-6-7-11-26(25)31-3/h4-13,16,22,24,27,29-30H,14-15,17-19H2,1-3H3/t24-,27?/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153451
PNG
(3-[1-(5-Dimethylamino-pentyl)-1H-indol-3-yl]-4-phe...)
Show SMILES CN(C)CCCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:11|
Show InChI InChI=1S/C25H28N4O2/c1-28(2)15-9-4-10-16-29-17-20(19-13-7-8-14-21(19)29)22-23(25(31)27-24(22)30)26-18-11-5-3-6-12-18/h3,5-8,11-14,17H,4,9-10,15-16H2,1-2H3,(H2,26,27,30,31)
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n/an/a 41n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM50153465
PNG
(2-{3-[3-(2,5-Dioxo-4-phenylamino-2,5-dihydro-1H-py...)
Show SMILES NC(=N)SCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12 |c:10|
Show InChI InChI=1S/C22H21N5O2S/c23-22(24)30-12-6-11-27-13-16(15-9-4-5-10-17(15)27)18-19(21(29)26-20(18)28)25-14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H3,23,24)(H2,25,26,28,29)
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n/an/a 58n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C epsilon


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320011
PNG
((2R)-1-(cyclopropyl(phenyl)methoxy)-3-(2-methyl-1-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H33NO2/c1-27(2,17-20-12-13-21-8-6-7-11-24(21)16-20)28-18-25(29)19-30-26(23-14-15-23)22-9-4-3-5-10-22/h3-13,16,23,25-26,28-29H,14-15,17-19H2,1-2H3/t25-,26?/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320012
PNG
((2R)-1-(cyclobutyl(phenyl)methoxy)-3-(2-methyl-1-(...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CCC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H35NO2/c1-28(2,18-21-15-16-22-9-6-7-12-25(22)17-21)29-19-26(30)20-31-27(24-13-8-14-24)23-10-4-3-5-11-23/h3-7,9-12,15-17,24,26-27,29-30H,8,13-14,18-20H2,1-2H3/t26-,27?/m1/s1
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n/an/a 74n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320019
PNG
((R)-1-((S)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)
Show SMILES Cc1ccccc1[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27+/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50319998
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CCC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H33NO2/c1-4-25(22-11-6-5-7-12-22)29-19-24(28)18-27-26(2,3)17-20-14-15-21-10-8-9-13-23(21)16-20/h5-16,24-25,27-28H,4,17-19H2,1-3H3/t24-,25?/m1/s1
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n/an/a 92n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320008
PNG
((2R)-1-(1-(2-methoxyphenyl)ethoxy)-3-(2-methyl-1-(...)
Show SMILES COc1ccccc1C(C)OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C26H33NO3/c1-19(24-11-7-8-12-25(24)29-4)30-18-23(28)17-27-26(2,3)16-20-13-14-21-9-5-6-10-22(21)15-20/h5-15,19,23,27-28H,16-18H2,1-4H3/t19?,23-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320007
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C26H33NO2/c1-19-9-12-22(13-10-19)20(2)29-18-25(28)17-27-26(3,4)16-21-11-14-23-7-5-6-8-24(23)15-21/h5-15,20,25,27-28H,16-18H2,1-4H3/t20?,25-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320003
PNG
((2R)-1-(1-(2-chlorophenyl)ethoxy)-3-(2-methyl-1-(n...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1Cl |r|
Show InChI InChI=1S/C25H30ClNO2/c1-18(23-10-6-7-11-24(23)26)29-17-22(28)16-27-25(2,3)15-19-12-13-20-8-4-5-9-21(20)14-19/h4-14,18,22,27-28H,15-17H2,1-3H3/t18?,22-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320000
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CCCC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H35NO2/c1-4-10-26(23-12-6-5-7-13-23)30-20-25(29)19-28-27(2,3)18-21-15-16-22-11-8-9-14-24(22)17-21/h5-9,11-17,25-26,28-29H,4,10,18-20H2,1-3H3/t25-,26?/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153464
PNG
(3-(1H-Indol-3-yl)-4-m-tolylamino-pyrrole-2,5-dione...)
Show SMILES Cc1cccc(NC2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c1 |t:7|
Show InChI InChI=1S/C19H15N3O2/c1-11-5-4-6-12(9-11)21-17-16(18(23)22-19(17)24)14-10-20-15-8-3-2-7-13(14)15/h2-10,20H,1H3,(H2,21,22,23,24)
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n/an/a 151n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320017
PNG
(2-(1-((R)-2-hydroxy-3-(2-methyl-1-(naphthalen-2-yl...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1C#N |r|
Show InChI InChI=1S/C26H30N2O2/c1-19(25-11-7-6-10-23(25)16-27)30-18-24(29)17-28-26(2,3)15-20-12-13-21-8-4-5-9-22(21)14-20/h4-14,19,24,28-29H,15,17-18H2,1-3H3/t19?,24-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320002
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CCCCC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C28H37NO2/c1-4-5-15-27(24-12-7-6-8-13-24)31-21-26(30)20-29-28(2,3)19-22-16-17-23-11-9-10-14-25(23)18-22/h6-14,16-18,26-27,29-30H,4-5,15,19-21H2,1-3H3/t26-,27?/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320006
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc(C)c1 |r|
Show InChI InChI=1S/C26H33NO2/c1-19-8-7-11-23(14-19)20(2)29-18-25(28)17-27-26(3,4)16-21-12-13-22-9-5-6-10-24(22)15-21/h5-15,20,25,27-28H,16-18H2,1-4H3/t20?,25-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50153471
PNG
(3-(3-Chloro-phenylamino)-4-(1H-indol-3-yl)-pyrrole...)
Show SMILES Clc1cccc(NC2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c1 |t:7|
Show InChI InChI=1S/C18H12ClN3O2/c19-10-4-3-5-11(8-10)21-16-15(17(23)22-18(16)24)13-9-20-14-7-2-1-6-12(13)14/h1-9,20H,(H2,21,22,23,24)
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n/an/a 198n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320013
PNG
((2R)-1-(cyclopentyl(phenyl)methoxy)-3-(2-methyl-1-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C29H37NO2/c1-29(2,19-22-16-17-23-10-6-9-15-26(23)18-22)30-20-27(31)21-32-28(25-13-7-8-14-25)24-11-4-3-5-12-24/h3-6,9-12,15-18,25,27-28,30-31H,7-8,13-14,19-21H2,1-2H3/t27-,28?/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320005
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1C |r|
Show InChI InChI=1S/C26H33NO2/c1-19-9-5-8-12-25(19)20(2)29-18-24(28)17-27-26(3,4)16-21-13-14-22-10-6-7-11-23(22)15-21/h5-15,20,24,27-28H,16-18H2,1-4H3/t20?,24-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320001
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(C)C(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H35NO2/c1-20(2)26(23-11-6-5-7-12-23)30-19-25(29)18-28-27(3,4)17-21-14-15-22-10-8-9-13-24(22)16-21/h5-16,20,25-26,28-29H,17-19H2,1-4H3/t25-,26?/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50319999
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C=C)c1ccccc1 |r|
Show InChI InChI=1S/C26H31NO2/c1-4-25(22-11-6-5-7-12-22)29-19-24(28)18-27-26(2,3)17-20-14-15-21-10-8-9-13-23(21)16-20/h4-16,24-25,27-28H,1,17-19H2,2-3H3/t24-,25?/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM2583
PNG
(3,4-Bis(3-indolyl)-1H-pyrrole-2,5-dione | 3,4-bis(...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5|
Show InChI InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
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n/an/a 212n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2


Bioorg Med Chem Lett 14: 5171-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.061
BindingDB Entry DOI: 10.7270/Q2K35VDJ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50319990
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H31NO2/c1-19(21-9-5-4-6-10-21)28-18-24(27)17-26-25(2,3)16-20-13-14-22-11-7-8-12-23(22)15-20/h4-15,19,24,26-27H,16-18H2,1-3H3/t19?,24-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50320004
PNG
((2R)-1-(1-(3-chlorophenyl)ethoxy)-3-(2-methyl-1-(n...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H30ClNO2/c1-18(21-9-6-10-23(26)14-21)29-17-24(28)16-27-25(2,3)15-19-11-12-20-7-4-5-8-22(20)13-19/h4-14,18,24,27-28H,15-17H2,1-3H3/t18?,24-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
BindingDB Entry DOI: 10.7270/Q2765FGD
More data for this
Ligand-Target Pair
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