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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'diaz' and Initial = 'cj'   
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
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50316818
PNG
(((2S,3aS,7aS)-1-((1R,2R)-2-phenylcyclopropanecarbo...)
Show SMILES O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCSC1 |r|
Show InChI InChI=1S/C22H28N2O2S/c25-21(18-13-17(18)15-6-2-1-3-7-15)24-19-9-5-4-8-16(19)12-20(24)22(26)23-10-11-27-14-23/h1-3,6-7,16-20H,4-5,8-14H2/t16-,17-,18+,19-,20-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479034
PNG
(CHEMBL515482)
Show SMILES CC(=O)c1cc(OCCc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C23H26N2O4/c1-16(26)18-15-21(29-14-11-17-7-3-2-4-8-17)23(28)25-19(18)9-10-20(25)22(27)24-12-5-6-13-24/h2-4,7-8,15,20H,5-6,9-14H2,1H3/t20-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479006
PNG
(CHEMBL476508)
Show SMILES CC(=O)c1cc(OCCc2ccc(F)cc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C23H25FN2O4/c1-15(27)18-14-21(30-13-10-16-4-6-17(24)7-5-16)23(29)26-19(18)8-9-20(26)22(28)25-11-2-3-12-25/h4-7,14,20H,2-3,8-13H2,1H3/t20-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479013
PNG
(CHEMBL476950)
Show SMILES Fc1cc(F)cc(COc2cc(c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)S(=O)(=O)c2ccccc2)c1 |r|
Show InChI InChI=1S/C26H24F2N2O5S/c27-18-12-17(13-19(28)14-18)16-35-23-15-24(36(33,34)20-6-2-1-3-7-20)21-8-9-22(30(21)26(23)32)25(31)29-10-4-5-11-29/h1-3,6-7,12-15,22H,4-5,8-11,16H2/t22-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479014
PNG
(CHEMBL477998)
Show SMILES CC(=O)c1cc(OCc2ccc(F)c(F)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H22F2N2O4/c1-13(27)15-11-20(30-12-14-4-5-16(23)17(24)10-14)22(29)26-18(15)6-7-19(26)21(28)25-8-2-3-9-25/h4-5,10-11,19H,2-3,6-9,12H2,1H3/t19-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479035
PNG
(CHEMBL478199)
Show SMILES CC(=O)c1cc(OCc2ccc(F)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H22ClFN2O4/c1-13(27)15-11-20(30-12-14-4-5-17(24)16(23)10-14)22(29)26-18(15)6-7-19(26)21(28)25-8-2-3-9-25/h4-5,10-11,19H,2-3,6-9,12H2,1H3/t19-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479012
PNG
(CHEMBL476951)
Show SMILES FC(F)(F)c1ccc(COc2cc(c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)S(=O)(=O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H25F3N2O5S/c28-27(29,30)19-10-8-18(9-11-19)17-37-23-16-24(38(35,36)20-6-2-1-3-7-20)21-12-13-22(32(21)26(23)34)25(33)31-14-4-5-15-31/h1-3,6-11,16,22H,4-5,12-15,17H2/t22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50478998
PNG
(CHEMBL514702)
Show SMILES Clc1cc(NCc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C20H22ClN3O2/c21-15-12-16(22-13-14-6-2-1-3-7-14)19(25)24-17(15)8-9-18(24)20(26)23-10-4-5-11-23/h1-3,6-7,12,18,22H,4-5,8-11,13H2/t18-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50478997
PNG
(CHEMBL476985)
Show SMILES Fc1ccc(CNc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1F |r|
Show InChI InChI=1S/C20H20ClF2N3O2/c21-13-10-16(24-11-12-3-4-14(22)15(23)9-12)19(27)26-17(13)5-6-18(26)20(28)25-7-1-2-8-25/h3-4,9-10,18,24H,1-2,5-8,11H2/t18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479022
PNG
(CHEMBL515786)
Show SMILES Fc1ccc(CNc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
Show InChI InChI=1S/C20H21ClFN3O2/c21-15-11-16(23-12-13-3-5-14(22)6-4-13)19(26)25-17(15)7-8-18(25)20(27)24-9-1-2-10-24/h3-6,11,18,23H,1-2,7-10,12H2/t18-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479009
PNG
(CHEMBL478844)
Show SMILES Fc1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1F |r|
Show InChI InChI=1S/C20H20F2N2O3/c21-15-6-3-13(11-16(15)22)12-27-18-8-5-14-4-7-17(24(14)20(18)26)19(25)23-9-1-2-10-23/h3,5-6,8,11,17H,1-2,4,7,9-10,12H2/t17-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479010
PNG
(CHEMBL518279)
Show SMILES Fc1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
Show InChI InChI=1S/C20H21FN2O3/c21-15-5-3-14(4-6-15)13-26-18-10-8-16-7-9-17(23(16)20(18)25)19(24)22-11-1-2-12-22/h3-6,8,10,17H,1-2,7,9,11-13H2/t17-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479020
PNG
(CHEMBL478843)
Show SMILES Fc1cc(F)cc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r|
Show InChI InChI=1S/C20H20F2N2O3/c21-14-9-13(10-15(22)11-14)12-27-18-6-4-16-3-5-17(24(16)20(18)26)19(25)23-7-1-2-8-23/h4,6,9-11,17H,1-3,5,7-8,12H2/t17-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479015
PNG
(CHEMBL516746)
Show SMILES CC(=O)c1cc(OCc2cc(F)cc(F)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H22F2N2O4/c1-13(27)17-11-20(30-12-14-8-15(23)10-16(24)9-14)22(29)26-18(17)4-5-19(26)21(28)25-6-2-3-7-25/h8-11,19H,2-7,12H2,1H3/t19-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479029
PNG
(CHEMBL476949)
Show SMILES CC(=O)c1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H22Cl2N2O4/c1-13(27)15-11-20(30-12-14-4-5-16(23)17(24)10-14)22(29)26-18(15)6-7-19(26)21(28)25-8-2-3-9-25/h4-5,10-11,19H,2-3,6-9,12H2,1H3/t19-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479017
PNG
(CHEMBL477776)
Show SMILES CC(=O)c1cc(OCc2ccc(cc2)C(F)(F)F)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C23H23F3N2O4/c1-14(29)17-12-20(32-13-15-4-6-16(7-5-15)23(24,25)26)22(31)28-18(17)8-9-19(28)21(30)27-10-2-3-11-27/h4-7,12,19H,2-3,8-11,13H2,1H3/t19-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479023
PNG
(CHEMBL478446)
Show SMILES Clc1cccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r|
Show InChI InChI=1S/C20H20Cl2N2O3/c21-14-5-3-4-13(10-14)12-27-18-11-15(22)16-6-7-17(24(16)20(18)26)19(25)23-8-1-2-9-23/h3-5,10-11,17H,1-2,6-9,12H2/t17-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479026
PNG
(CHEMBL477338)
Show SMILES Fc1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c(F)c1 |r|
Show InChI InChI=1S/C20H20F2N2O3/c21-14-4-3-13(16(22)11-14)12-27-18-8-6-15-5-7-17(24(15)20(18)26)19(25)23-9-1-2-10-23/h3-4,6,8,11,17H,1-2,5,7,9-10,12H2/t17-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479008
PNG
(CHEMBL515168)
Show SMILES FC(F)(F)c1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
Show InChI InChI=1S/C21H21F3N2O3/c22-21(23,24)15-5-3-14(4-6-15)13-29-18-10-8-16-7-9-17(26(16)20(18)28)19(27)25-11-1-2-12-25/h3-6,8,10,17H,1-2,7,9,11-13H2/t17-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479005
PNG
(CHEMBL478610)
Show SMILES Clc1cc(OCc2ccc(Cl)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C20H19Cl3N2O3/c21-13-4-3-12(9-14(13)22)11-28-18-10-15(23)16-5-6-17(25(16)20(18)27)19(26)24-7-1-2-8-24/h3-4,9-10,17H,1-2,5-8,11H2/t17-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479025
PNG
(CHEMBL478609)
Show SMILES Fc1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
Show InChI InChI=1S/C20H20ClFN2O3/c21-15-11-18(27-12-13-3-5-14(22)6-4-13)20(26)24-16(15)7-8-17(24)19(25)23-9-1-2-10-23/h3-6,11,17H,1-2,7-10,12H2/t17-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50478999
PNG
(CHEMBL478233)
Show SMILES Fc1cc(F)c(F)c(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r|
Show InChI InChI=1S/C20H18ClF3N2O3/c21-13-9-17(29-10-11-7-12(22)8-14(23)18(11)24)20(28)26-15(13)3-4-16(26)19(27)25-5-1-2-6-25/h7-9,16H,1-6,10H2/t16-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479037
PNG
(CHEMBL516744)
Show SMILES Fc1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1Cl |r|
Show InChI InChI=1S/C20H19Cl2FN2O3/c21-13-9-12(3-4-15(13)23)11-28-18-10-14(22)16-5-6-17(25(16)20(18)27)19(26)24-7-1-2-8-24/h3-4,9-10,17H,1-2,5-8,11H2/t17-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479030
PNG
(CHEMBL476943)
Show SMILES CC(=O)c1cc(OCc2ccc(Cl)cc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H23ClN2O4/c1-14(26)17-12-20(29-13-15-4-6-16(23)7-5-15)22(28)25-18(17)8-9-19(25)21(27)24-10-2-3-11-24/h4-7,12,19H,2-3,8-11,13H2,1H3/t19-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479031
PNG
(CHEMBL477775)
Show SMILES CC(=O)c1cc(OCc2ccc(F)cc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H23FN2O4/c1-14(26)17-12-20(29-13-15-4-6-16(23)7-5-15)22(28)25-18(17)8-9-19(25)21(27)24-10-2-3-11-24/h4-7,12,19H,2-3,8-11,13H2,1H3/t19-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479004
PNG
(CHEMBL514397)
Show SMILES Fc1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1F |r|
Show InChI InChI=1S/C20H19ClF2N2O3/c21-13-10-18(28-11-12-3-4-14(22)15(23)9-12)20(27)25-16(13)5-6-17(25)19(26)24-7-1-2-8-24/h3-4,9-10,17H,1-2,5-8,11H2/t17-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479007
PNG
(CHEMBL477337)
Show SMILES CC(C)(C)c1ccc(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
Show InChI InChI=1S/C24H30N2O3/c1-24(2,3)18-8-6-17(7-9-18)16-29-21-13-11-19-10-12-20(26(19)23(21)28)22(27)25-14-4-5-15-25/h6-9,11,13,20H,4-5,10,12,14-16H2,1-3H3/t20-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479027
PNG
(CHEMBL514385)
Show SMILES Fc1ccc(F)c(COc2ccc3CC[C@@H](C(=O)N4CCCC4)n3c2=O)c1 |r|
Show InChI InChI=1S/C20H20F2N2O3/c21-14-3-6-16(22)13(11-14)12-27-18-8-5-15-4-7-17(24(15)20(18)26)19(25)23-9-1-2-10-23/h3,5-6,8,11,17H,1-2,4,7,9-10,12H2/t17-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479032
PNG
(CHEMBL478232)
Show SMILES Clc1cc(OCC2CCCCC2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C20H27ClN2O3/c21-15-12-18(26-13-14-6-2-1-3-7-14)20(25)23-16(15)8-9-17(23)19(24)22-10-4-5-11-22/h12,14,17H,1-11,13H2/t17-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479033
PNG
(CHEMBL477609)
Show SMILES Clc1cc(NCCc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C21H24ClN3O2/c22-16-14-17(23-11-10-15-6-2-1-3-7-15)20(26)25-18(16)8-9-19(25)21(27)24-12-4-5-13-24/h1-3,6-7,14,19,23H,4-5,8-13H2/t19-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479016
PNG
(CHEMBL476734)
Show SMILES COc1ccc(COc2cc(C(C)=O)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
Show InChI InChI=1S/C23H26N2O5/c1-15(26)18-13-21(30-14-16-5-7-17(29-2)8-6-16)23(28)25-19(18)9-10-20(25)22(27)24-11-3-4-12-24/h5-8,13,20H,3-4,9-12,14H2,1-2H3/t20-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479000
PNG
(CHEMBL516284)
Show SMILES FC(F)(F)c1ccc(COc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
Show InChI InChI=1S/C21H20ClF3N2O3/c22-15-11-18(30-12-13-3-5-14(6-4-13)21(23,24)25)20(29)27-16(15)7-8-17(27)19(28)26-9-1-2-10-26/h3-6,11,17H,1-2,7-10,12H2/t17-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479028
PNG
(CHEMBL516410)
Show SMILES CC(C)(C)c1ccc(COc2cc(c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)S(=O)(=O)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C30H34N2O5S/c1-30(2,3)22-13-11-21(12-14-22)20-37-26-19-27(38(35,36)23-9-5-4-6-10-23)24-15-16-25(32(24)29(26)34)28(33)31-17-7-8-18-31/h4-6,9-14,19,25H,7-8,15-18,20H2,1-3H3/t25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479011
PNG
(CHEMBL478632)
Show SMILES CC(=O)c1cc(OCc2ccc(F)cc2)c(=O)n2[C@@H](CCc12)C(=O)n1cccc1 |r|
Show InChI InChI=1S/C22H19FN2O4/c1-14(26)17-12-20(29-13-15-4-6-16(23)7-5-15)22(28)25-18(17)8-9-19(25)21(27)24-10-2-3-11-24/h2-7,10-12,19H,8-9,13H2,1H3/t19-/m0/s1
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n/an/a 343n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479018
PNG
(CHEMBL514230)
Show SMILES CC(=O)c1cc(OCC(F)(F)F)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C17H19F3N2O4/c1-10(23)11-8-14(26-9-17(18,19)20)16(25)22-12(11)4-5-13(22)15(24)21-6-2-3-7-21/h8,13H,2-7,9H2,1H3/t13-/m0/s1
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n/an/a 584n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479021
PNG
(CHEMBL479250)
Show SMILES CC(=O)c1cc(OCc2ccc(cc2)C#N)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C23H23N3O4/c1-15(27)18-12-21(30-14-17-6-4-16(13-24)5-7-17)23(29)26-19(18)8-9-20(26)22(28)25-10-2-3-11-25/h4-7,12,20H,2-3,8-11,14H2,1H3/t20-/m0/s1
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n/an/a 783n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479024
PNG
(CHEMBL478618)
Show SMILES Clc1cc(OCc2ccncc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H20ClN3O3/c20-14-11-17(26-12-13-5-7-21-8-6-13)19(25)23-15(14)3-4-16(23)18(24)22-9-1-2-10-22/h5-8,11,16H,1-4,9-10,12H2/t16-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479001
PNG
(CHEMBL478619)
Show SMILES Fc1ccc(CCOc2cc(Cl)c3CC[C@@H](C(=O)N4CCCC4)n3c2=O)cc1 |r|
Show InChI InChI=1S/C21H22ClFN2O3/c22-16-13-19(28-12-9-14-3-5-15(23)6-4-14)21(27)25-17(16)7-8-18(25)20(26)24-10-1-2-11-24/h3-6,13,18H,1-2,7-12H2/t18-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479019
PNG
(CHEMBL516588)
Show SMILES Clc1cc(Oc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H19ClN2O3/c20-14-12-17(25-13-6-2-1-3-7-13)19(24)22-15(14)8-9-16(22)18(23)21-10-4-5-11-21/h1-3,6-7,12,16H,4-5,8-11H2/t16-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479002
PNG
(CHEMBL516288)
Show SMILES Clc1cc(OCCc2ccc(Cl)c(Cl)c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C21H21Cl3N2O3/c22-14-4-3-13(11-15(14)23)7-10-29-19-12-16(24)17-5-6-18(26(17)21(19)28)20(27)25-8-1-2-9-25/h3-4,11-12,18H,1-2,5-10H2/t18-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479036
PNG
(CHEMBL479235)
Show SMILES Clc1cc(Cl)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C13H14Cl2N2O2/c14-8-7-9(15)12(18)17-10(8)3-4-11(17)13(19)16-5-1-2-6-16/h7,11H,1-6H2/t11-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50479003
PNG
(CHEMBL514994)
Show SMILES Clc1cc(OCc2ccc3ccccc3c2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C24H23ClN2O3/c25-19-14-22(30-15-16-7-8-17-5-1-2-6-18(17)13-16)24(29)27-20(19)9-10-21(27)23(28)26-11-3-4-12-26/h1-2,5-8,13-14,21H,3-4,9-12,15H2/t21-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50261660
PNG
(CHEMBL4070562)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)N[C@H](CCCCN)C(O)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H36N4O3/c1-20(25-10-6-8-21-7-2-3-9-26(21)25)31-23-16-18-33(19-23)24-14-12-22(13-15-24)28(34)32-27(29(35)36)11-4-5-17-30/h2-3,6-10,12-15,20,23,27,31H,4-5,11,16-19,30H2,1H3,(H,32,34)(H,35,36)/t20-,23+,27-/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Enteroendocrine Discovery Performance Unit and Platform Technologies and Science, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC 27709, United States. Electronic address: ssparks@viamet.c

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...


Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50261661
PNG
(CHEMBL4071600)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCCN1CCC(CC1)C(O)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C32H40N4O3/c1-23(29-9-4-7-24-6-2-3-8-30(24)29)34-27-16-21-36(22-27)28-12-10-25(11-13-28)31(37)33-17-5-18-35-19-14-26(15-20-35)32(38)39/h2-4,6-13,23,26-27,34H,5,14-22H2,1H3,(H,33,37)(H,38,39)/t23-,27+/m1/s1
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n/an/an/an/a 50n/an/an/an/a



Enteroendocrine Discovery Performance Unit and Platform Technologies and Science, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC 27709, United States. Electronic address: ssparks@viamet.c

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...


Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50261662
PNG
(CHEMBL4076239)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)P(O)(O)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C22H25N2O3P/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)23-18-13-14-24(15-18)19-9-11-20(12-10-19)28(25,26)27/h2-12,16,18,23H,13-15H2,1H3,(H2,25,26,27)/t16-,18+/m1/s1
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n/an/an/an/a 3.16E+3n/an/an/an/a



Enteroendocrine Discovery Performance Unit and Platform Technologies and Science, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC 27709, United States. Electronic address: ssparks@viamet.c

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...


Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50261663
PNG
(CHEMBL4079960)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(O)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H24N2O2/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-25(15-19)20-11-9-18(10-12-20)23(26)27/h2-12,16,19,24H,13-15H2,1H3,(H,26,27)/t16-,19+/m1/s1
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n/an/an/an/a 158n/an/an/an/a



Enteroendocrine Discovery Performance Unit and Platform Technologies and Science, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC 27709, United States. Electronic address: ssparks@viamet.c

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...


Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50261664
PNG
(CHEMBL4067601)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)S(=O)(=O)NCCN(C)C)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C26H34N4O2S/c1-20(25-10-6-8-21-7-4-5-9-26(21)25)28-22-15-17-30(19-22)23-11-13-24(14-12-23)33(31,32)27-16-18-29(2)3/h4-14,20,22,27-28H,15-19H2,1-3H3/t20-,22+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Enteroendocrine Discovery Performance Unit and Platform Technologies and Science, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC 27709, United States. Electronic address: ssparks@viamet.c

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...


Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50261665
PNG
(CHEMBL4082125)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)N(C)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H37N3O6/c1-18(23-9-5-7-19-6-3-4-8-24(19)23)30-21-14-15-32(16-21)22-12-10-20(11-13-22)28(37)31(2)29(38)27(36)26(35)25(34)17-33/h3-13,18,21,25-27,29-30,33-36,38H,14-17H2,1-2H3/t18-,21+,25+,26-,27-,29+/m1/s1
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n/an/an/an/a 32n/an/an/an/a



Enteroendocrine Discovery Performance Unit and Platform Technologies and Science, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC 27709, United States. Electronic address: ssparks@viamet.c

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...


Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50261666
PNG
(CHEMBL4100132)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCCCNC(CO)(CO)CO)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C31H42N4O4/c1-23(28-10-6-8-24-7-2-3-9-29(24)28)34-26-15-18-35(19-26)27-13-11-25(12-14-27)30(39)32-16-4-5-17-33-31(20-36,21-37)22-38/h2-3,6-14,23,26,33-34,36-38H,4-5,15-22H2,1H3,(H,32,39)/t23-,26+/m1/s1
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n/an/an/an/a 16n/an/an/an/a



Enteroendocrine Discovery Performance Unit and Platform Technologies and Science, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC 27709, United States. Electronic address: ssparks@viamet.c

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...


Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50261667
PNG
(CHEMBL4101097)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCNC(CO)(CO)CO)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H38N4O4/c1-21(26-8-4-6-22-5-2-3-7-27(22)26)32-24-13-16-33(17-24)25-11-9-23(10-12-25)28(37)30-14-15-31-29(18-34,19-35)20-36/h2-12,21,24,31-32,34-36H,13-20H2,1H3,(H,30,37)/t21-,24+/m1/s1
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n/an/an/an/a 7.90n/an/an/an/a



Enteroendocrine Discovery Performance Unit and Platform Technologies and Science, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC 27709, United States. Electronic address: ssparks@viamet.c

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...


Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
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