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Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'endres' and Initial = 'r'   
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 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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n/an/a 0.300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at EBI2 receptor in human U937 cells assessed as inhibition of 7-alpha,25-OHC-induced cell migration after 3 hrs by flow cytometr...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325523
PNG
(2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2c(c(Cc3cccnc3SC)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H30F3N3O2S/c1-17(2)18-8-10-19(11-9-18)26-33-24-23(28(29,30)31)21(15-20-7-6-12-32-27(20)37-5)16-22(36-4)25(24)34(26)13-14-35-3/h6-12,16-17H,13-15H2,1-5H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325525
PNG
(2-((2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyet...)
Show SMILES COCCn1c(nc2c(c(Cc3nccs3)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C25H26F3N3O2S/c1-15(2)16-5-7-17(8-6-16)24-30-22-21(25(26,27)28)18(14-20-29-9-12-34-20)13-19(33-4)23(22)31(24)10-11-32-3/h5-9,12-13,15H,10-11,14H2,1-4H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325524
PNG
(2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2c(c(Cc3cccnc3S(C)=O)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H30F3N3O3S/c1-17(2)18-8-10-19(11-9-18)26-33-24-23(28(29,30)31)21(15-20-7-6-12-32-27(20)38(5)35)16-22(37-4)25(24)34(26)13-14-36-3/h6-12,16-17H,13-15H2,1-5H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325522
PNG
(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(Br)c(Cc3cccnc3SC)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C27H30BrN3O2S/c1-17(2)18-8-10-19(11-9-18)26-30-24-23(28)21(15-20-7-6-12-29-27(20)34-5)16-22(33-4)25(24)31(26)13-14-32-3/h6-12,16-17H,13-15H2,1-5H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325521
PNG
(2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2c(c(Cc3cccnc3OC)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H30F3N3O3/c1-17(2)18-8-10-19(11-9-18)26-33-24-23(28(29,30)31)21(15-20-7-6-12-32-27(20)37-5)16-22(36-4)25(24)34(26)13-14-35-3/h6-12,16-17H,13-15H2,1-5H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325515
PNG
(5-benzyl-4-bromo-2-(4-isopropylphenyl)-7-methoxy-1...)
Show SMILES COCCn1c(nc2c(Br)c(Cc3ccccc3)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C27H29BrN2O2/c1-18(2)20-10-12-21(13-11-20)27-29-25-24(28)22(16-19-8-6-5-7-9-19)17-23(32-4)26(25)30(27)14-15-31-3/h5-13,17-18H,14-16H2,1-4H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325519
PNG
(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(Br)c(Cc3ccccc3S(C)=O)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H31BrN2O3S/c1-18(2)19-10-12-20(13-11-19)28-30-26-25(29)22(16-21-8-6-7-9-24(21)35(5)32)17-23(34-4)27(26)31(28)14-15-33-3/h6-13,17-18H,14-16H2,1-5H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011701
PNG
(CHEMBL3262895)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21BrN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312987
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C27H26F2N4O3/c1-16-12-18(6-7-19(16)26(34)30-2)31-27-32-24-5-3-4-20(25(24)36-27)17-13-22(28)21(23(29)14-17)15-33-8-10-35-11-9-33/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,34)(H,31,32)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312980
PNG
(CHEMBL1081977 | N-(4-(2-(3,4,5-trimethoxyphenylami...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(NS(C)(=O)=O)cc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H23N3O6S/c1-29-19-12-16(13-20(30-2)22(19)31-3)24-23-25-18-7-5-6-17(21(18)32-23)14-8-10-15(11-9-14)26-33(4,27)28/h5-13,26H,1-4H3,(H,24,25)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312986
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C28H28F2N4O3/c1-17-13-19(7-8-20(17)27(35)33(2)3)31-28-32-25-6-4-5-21(26(25)37-28)18-14-23(29)22(24(30)15-18)16-34-9-11-36-12-10-34/h4-8,13-15H,9-12,16H2,1-3H3,(H,31,32)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312989
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CN(C)CCCNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C31H35F2N5O3/c1-20-16-22(8-9-23(20)30(39)34-10-5-11-37(2)3)35-31-36-28-7-4-6-24(29(28)41-31)21-17-26(32)25(27(33)18-21)19-38-12-14-40-15-13-38/h4,6-9,16-18H,5,10-15,19H2,1-3H3,(H,34,39)(H,35,36)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011717
PNG
(CHEMBL3262876)
Show SMILES O=C(COc1ccc2ccccc2c1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C24H24N2O3/c27-23(16-19-6-2-1-3-7-19)25-12-14-26(15-13-25)24(28)18-29-22-11-10-20-8-4-5-9-21(20)17-22/h1-11,17H,12-16,18H2
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at EBI2 receptor in human U937 cells assessed as inhibition of 7-alpha,25-OHC-induced cell migration after 3 hrs by flow cytometr...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325508
PNG
(5-bromo-4-iodo-2-(4-isopropylphenyl)-7-methoxy-1-(...)
Show SMILES COCCn1c(nc2c(I)c(Br)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C20H22BrIN2O2/c1-12(2)13-5-7-14(8-6-13)20-23-18-17(22)15(21)11-16(26-4)19(18)24(20)9-10-25-3/h5-8,11-12H,9-10H2,1-4H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011701
PNG
(CHEMBL3262895)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21BrN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of 0.1 nM oxysterol-induced [35S]GTPgammaS bindi...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312981
PNG
(CHEMBL1081978 | morpholino(4-(2-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H27N3O6/c1-32-22-15-19(16-23(33-2)25(22)34-3)28-27-29-21-6-4-5-20(24(21)36-27)17-7-9-18(10-8-17)26(31)30-11-13-35-14-12-30/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312988
PNG
((2-methyl-4-(2-(4-(4-methylpiperazin-1-yl)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(C)c4)c3o2)cc1
Show InChI InChI=1S/C30H33N5O3/c1-21-20-22(6-11-25(21)29(36)35-16-18-37-19-17-35)26-4-3-5-27-28(26)38-30(32-27)31-23-7-9-24(10-8-23)34-14-12-33(2)13-15-34/h3-11,20H,12-19H2,1-2H3,(H,31,32)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312978
PNG
(7-(quinolin-6-yl)-N-(3,4,5-trimethoxyphenyl)benzo[...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc5ncccc5c4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C25H21N3O4/c1-29-21-13-17(14-22(30-2)24(21)31-3)27-25-28-20-8-4-7-18(23(20)32-25)15-9-10-19-16(12-15)6-5-11-26-19/h4-14H,1-3H3,(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312985
PNG
(CHEMBL1081664 | N,N,2-trimethyl-4-(7-(4-(morpholin...)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc1C
Show InChI InChI=1S/C28H28N4O4/c1-18-17-21(11-12-22(18)27(34)31(2)3)29-28-30-24-6-4-5-23(25(24)36-28)19-7-9-20(10-8-19)26(33)32-13-15-35-16-14-32/h4-12,17H,13-16H2,1-3H3,(H,29,30)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of 0.33 nM oxysterol-induced [35S]GTPgammaS bind...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at EBI2 receptor in human U937 cells assessed as inhibition of oxysterol-induced calcium release measured for 3 mins by FLIPR ass...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325509
PNG
(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(Br)c(cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H22BrF3N2O2/c1-12(2)13-5-7-14(8-6-13)20-26-18-17(22)15(21(23,24)25)11-16(29-4)19(18)27(20)9-10-28-3/h5-8,11-12H,9-10H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011689
PNG
(CHEMBL3262892)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(Cl)c(C)c2)cc1
Show InChI InChI=1S/C22H23ClN2O3/c1-16-15-18(6-9-20(16)23)22(27)25-13-11-24(12-14-25)21(26)10-5-17-3-7-19(28-2)8-4-17/h3-10,15H,11-14H2,1-2H3/b10-5+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325498
PNG
(4-iodo-2-(4-isopropylphenyl)-7-methoxy-1-(2-methox...)
Show SMILES COCCn1c(nc2c(I)ccc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C20H23IN2O2/c1-13(2)14-5-7-15(8-6-14)20-22-18-16(21)9-10-17(25-4)19(18)23(20)11-12-24-3/h5-10,13H,11-12H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325507
PNG
(4,5-dibromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-m...)
Show SMILES COCCn1c(nc2c(Br)c(Br)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C20H22Br2N2O2/c1-12(2)13-5-7-14(8-6-13)20-23-18-17(22)15(21)11-16(26-4)19(18)24(20)9-10-25-3/h5-8,11-12H,9-10H2,1-4H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312983
PNG
(7-(4-(morpholinomethyl)phenyl)-N-(3,4,5-trimethoxy...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(CN5CCOCC5)cc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H29N3O5/c1-31-23-15-20(16-24(32-2)26(23)33-3)28-27-29-22-6-4-5-21(25(22)35-27)19-9-7-18(8-10-19)17-30-11-13-34-14-12-30/h4-10,15-16H,11-14,17H2,1-3H3,(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312975
PNG
(7-phenyl-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N2O4/c1-25-18-12-15(13-19(26-2)21(18)27-3)23-22-24-17-11-7-10-16(20(17)28-22)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,23,24)
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325520
PNG
(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(Br)c(Cc3cccnc3)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C26H28BrN3O2/c1-17(2)19-7-9-20(10-8-19)26-29-24-23(27)21(14-18-6-5-11-28-16-18)15-22(32-4)25(24)30(26)12-13-31-3/h5-11,15-17H,12-14H2,1-4H3
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011692
PNG
(CHEMBL3262894)
Show SMILES Clc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21ClN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
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n/an/a 16n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325510
PNG
(5-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(c(Br)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H22BrF3N2O2/c1-12(2)13-5-7-14(8-6-13)20-26-18-17(21(23,24)25)15(22)11-16(29-4)19(18)27(20)9-10-28-3/h5-8,11-12H,9-10H2,1-4H3
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n/an/a 16n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011578
PNG
(CHEMBL3262890)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(OC)cc1
Show InChI InChI=1S/C23H24N2O5/c1-29-20-10-3-17(4-11-20)5-12-21(26)24-13-15-25(16-14-24)22(27)18-6-8-19(9-7-18)23(28)30-2/h3-12H,13-16H2,1-2H3/b12-5+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011725
PNG
(CHEMBL3262883)
Show SMILES Cc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)Cc2ccccc2)cc1F
Show InChI InChI=1S/C22H23FN2O2/c1-17-7-8-19(15-20(17)23)9-10-21(26)24-11-13-25(14-12-24)22(27)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b10-9+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011592
PNG
(CHEMBL3262891)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C23H24N2O4/c1-28-20-6-2-17(3-7-20)4-9-22(26)24-11-13-25(14-12-24)23(27)19-5-8-21-18(16-19)10-15-29-21/h2-9,16H,10-15H2,1H3/b9-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011578
PNG
(CHEMBL3262890)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(OC)cc1
Show InChI InChI=1S/C23H24N2O5/c1-29-20-10-3-17(4-11-20)5-12-21(26)24-13-15-25(16-14-24)22(27)18-6-8-19(9-7-18)23(28)30-2/h3-12H,13-16H2,1-2H3/b12-5+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011722
PNG
(CHEMBL3262880)
Show SMILES Cc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C22H24N2O2/c1-18-7-9-19(10-8-18)11-12-21(25)23-13-15-24(16-14-23)22(26)17-20-5-3-2-4-6-20/h2-12H,13-17H2,1H3/b12-11+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011731
PNG
(CHEMBL3262889)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C23H27N3O3/c1-24(2)20-9-7-19(8-10-20)23(28)26-16-14-25(15-17-26)22(27)13-6-18-4-11-21(29-3)12-5-18/h4-13H,14-17H2,1-3H3/b13-6+
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n/an/a 19n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011731
PNG
(CHEMBL3262889)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C23H27N3O3/c1-24(2)20-9-7-19(8-10-20)23(28)26-16-14-25(15-17-26)22(27)13-6-18-4-11-21(29-3)12-5-18/h4-13H,14-17H2,1-3H3/b13-6+
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011689
PNG
(CHEMBL3262892)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(Cl)c(C)c2)cc1
Show InChI InChI=1S/C22H23ClN2O3/c1-16-15-18(6-9-20(16)23)22(27)25-13-11-24(12-14-25)21(26)10-5-17-3-7-19(28-2)8-4-17/h3-10,15H,11-14H2,1-2H3/b10-5+
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n/an/a 21n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011721
PNG
(CHEMBL3262879)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C21H21BrN2O2/c22-19-9-6-17(7-10-19)8-11-20(25)23-12-14-24(15-13-23)21(26)16-18-4-2-1-3-5-18/h1-11H,12-16H2/b11-8+
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n/an/a 21n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312982
PNG
((2-fluoro-4-(2-(3,4,5-trimethoxyphenylamino)benzo[...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H26FN3O6/c1-33-22-14-17(15-23(34-2)25(22)35-3)29-27-30-21-6-4-5-18(24(21)37-27)16-7-8-19(20(28)13-16)26(32)31-9-11-36-12-10-31/h4-8,13-15H,9-12H2,1-3H3,(H,29,30)
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325497
PNG
(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(Br)ccc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C20H23BrN2O2/c1-13(2)14-5-7-15(8-6-14)20-22-18-16(21)9-10-17(25-4)19(18)23(20)11-12-24-3/h5-10,13H,11-12H2,1-4H3
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011692
PNG
(CHEMBL3262894)
Show SMILES Clc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21ClN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011724
PNG
(CHEMBL3262882)
Show SMILES Clc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)Cc2ccccc2)cc1Cl
Show InChI InChI=1S/C21H20Cl2N2O2/c22-18-8-6-17(14-19(18)23)7-9-20(26)24-10-12-25(13-11-24)21(27)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/b9-7+
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n/an/a 24n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325511
PNG
(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(Br)c(cc(OC)c12)C#N)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H22BrN3O2/c1-13(2)14-5-7-15(8-6-14)21-24-19-18(22)16(12-23)11-17(27-4)20(19)25(21)9-10-26-3/h5-8,11,13H,9-10H2,1-4H3
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n/an/a 25n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50325516
PNG
(2-(4-isopropylphenyl)-7-methoxy-5-(2-methoxybenzyl...)
Show SMILES COCCn1c(nc2c(c(Cc3ccccc3OC)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C29H31F3N2O3/c1-18(2)19-10-12-20(13-11-19)28-33-26-25(29(30,31)32)22(16-21-8-6-7-9-23(21)36-4)17-24(37-5)27(26)34(28)14-15-35-3/h6-13,17-18H,14-16H2,1-5H3
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n/an/a 26n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312981
PNG
(CHEMBL1081978 | morpholino(4-(2-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H27N3O6/c1-32-22-15-19(16-23(33-2)25(22)34-3)28-27-29-21-6-4-5-20(24(21)36-27)17-7-9-18(10-8-17)26(31)30-11-13-35-14-12-30/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
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