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PubMed code 20951033

Compile data set for download or QSAR
Found 59 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417390
PNG
(CHEMBL1289154)
Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)30-15-6-7-16-17(12-15)26-18(25-16)27-10-8-20(9-11-27)13-28(19(29)31-20)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,25,26)
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417407
PNG
(CHEMBL1289153)
Show SMILES Fc1ccc(cc1)-c1ccc2[nH]c(nc2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C26H23FN4O2/c27-20-9-6-18(7-10-20)19-8-11-22-23(16-19)29-24(28-22)30-14-12-26(13-15-30)17-31(25(32)33-26)21-4-2-1-3-5-21/h1-11,16H,12-15,17H2,(H,28,29)
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417387
PNG
(CHEMBL1289386)
Show SMILES Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C22H19F4N3O3/c23-14-1-3-15(4-2-14)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-17-6-5-16(11-18(17)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)/t13-,21-
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417405
PNG
(CHEMBL1289267)
Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C22H20F3N3O3/c23-22(24,25)30-16-6-7-17-18(12-16)27-19(26-17)14-8-10-21(11-9-14)13-28(20(29)31-21)15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,26,27)/t14-,21-
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417406
PNG
(CHEMBL1290037)
Show SMILES O=C1O[C@@]2(CN1c1ccccc1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N
Show InChI InChI=1S/C22H20N4O2/c23-13-15-6-7-18-19(12-15)25-20(24-18)16-8-10-22(11-9-16)14-26(21(27)28-22)17-4-2-1-3-5-17/h1-7,12,16H,8-11,14H2,(H,24,25)/t16-,22-
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417404
PNG
(CHEMBL1289609)
Show SMILES Cc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C22H21F3N4O3/c1-13-3-2-4-18(26-13)29-12-21(32-20(29)30)9-7-14(8-10-21)19-27-16-6-5-15(11-17(16)28-19)31-22(23,24)25/h2-6,11,14H,7-10,12H2,1H3,(H,27,28)/t14-,21-
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0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417402
PNG
(CHEMBL1289820)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C22H20F3N3O2/c23-22(24,25)15-6-7-17-18(12-15)27-19(26-17)14-8-10-21(11-9-14)13-28(20(29)30-21)16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,26,27)/t14-,21-
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417403
PNG
(CHEMBL1290038)
Show SMILES Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C#N)OC1=O
Show InChI InChI=1S/C22H19FN4O2/c23-16-2-4-17(5-3-16)27-13-22(29-21(27)28)9-7-15(8-10-22)20-25-18-6-1-14(12-24)11-19(18)26-20/h1-6,11,15H,7-10,13H2,(H,25,26)/t15-,22-
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417386
PNG
(CHEMBL1289268)
Show SMILES Fc1ccccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C22H19F4N3O3/c23-15-3-1-2-4-18(15)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-16-6-5-14(11-17(16)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)/t13-,21-
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417408
PNG
(CHEMBL1289503)
Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1
Show InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)30-14-4-5-15-16(11-14)27-18(26-15)13-6-8-20(9-7-13)12-28(19(29)31-20)17-3-1-2-10-25-17/h1-5,10-11,13H,6-9,12H2,(H,26,27)/t13-,20-
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417394
PNG
(CHEMBL1289038)
Show SMILES Brc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C20H19BrN4O2/c21-14-6-7-16-17(12-14)23-18(22-16)24-10-8-20(9-11-24)13-25(19(26)27-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,23)
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417388
PNG
(CHEMBL1289714)
Show SMILES Fc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C21H18F4N4O3/c22-16-2-1-3-17(28-16)29-11-20(32-19(29)30)8-6-12(7-9-20)18-26-14-5-4-13(10-15(14)27-18)31-21(23,24)25/h1-5,10,12H,6-9,11H2,(H,26,27)/t12-,20-
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417391
PNG
(CHEMBL1290706)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)14-6-7-16-17(12-14)26-18(25-16)27-10-8-20(9-11-27)13-28(19(29)30-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,25,26)
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417053
PNG
(CHEMBL1257173)
Show SMILES O=C(Nc1nc(cs1)-c1ccccn1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C22H21N5O3S/c28-20(25-19-24-18(14-31-19)17-8-4-5-11-23-17)26-12-9-22(10-13-26)15-27(21(29)30-22)16-6-2-1-3-7-16/h1-8,11,14H,9-10,12-13,15H2,(H,24,25,28)
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417401
PNG
(CHEMBL1289502)
Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2Cl)CC1
Show InChI InChI=1S/C22H19ClF3N3O3/c23-15-3-1-2-4-18(15)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-16-6-5-14(11-17(16)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)/t13-,21-
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417400
PNG
(CHEMBL1289937)
Show SMILES Fc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C(F)(F)F)OC1=O
Show InChI InChI=1S/C21H18F4N4O2/c22-16-2-1-3-17(28-16)29-11-20(31-19(29)30)8-6-12(7-9-20)18-26-14-5-4-13(21(23,24)25)10-15(14)27-18/h1-5,10,12H,6-9,11H2,(H,26,27)/t12-,20-
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417399
PNG
(CHEMBL1289936)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1
Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)14-4-5-15-16(11-14)27-18(26-15)13-6-8-20(9-7-13)12-28(19(29)30-20)17-3-1-2-10-25-17/h1-5,10-11,13H,6-9,12H2,(H,26,27)/t13-,20-
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417398
PNG
(CHEMBL1289387)
Show SMILES Cc1ccccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C23H22F3N3O3/c1-14-4-2-3-5-19(14)29-13-22(32-21(29)30)10-8-15(9-11-22)20-27-17-7-6-16(12-18(17)28-20)31-23(24,25)26/h2-7,12,15H,8-11,13H2,1H3,(H,27,28)/t15-,22-
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417397
PNG
(CHEMBL1290147)
Show SMILES O=C1O[C@@]2(CN1c1ccccn1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N
Show InChI InChI=1S/C21H19N5O2/c22-12-14-4-5-16-17(11-14)25-19(24-16)15-6-8-21(9-7-15)13-26(20(27)28-21)18-3-1-2-10-23-18/h1-5,10-11,15H,6-9,13H2,(H,24,25)/t15-,21-
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417396
PNG
(CHEMBL1289819)
Show SMILES Fc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C21H18F4N4O3/c22-17-16(2-1-9-26-17)29-11-20(32-19(29)30)7-5-12(6-8-20)18-27-14-4-3-13(10-15(14)28-18)31-21(23,24)25/h1-4,9-10,12H,5-8,11H2,(H,27,28)/t12-,20-
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417392
PNG
(CHEMBL1289039)
Show SMILES Fc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C20H19FN4O2/c21-14-6-7-16-17(12-14)23-18(22-16)24-10-8-20(9-11-24)13-25(19(26)27-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,23)
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417395
PNG
(CHEMBL1289715)
Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2cccnc2)CC1
Show InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)30-15-3-4-16-17(10-15)27-18(26-16)13-5-7-20(8-6-13)12-28(19(29)31-20)14-2-1-9-25-11-14/h1-4,9-11,13H,5-8,12H2,(H,26,27)/t13-,20-
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417394
PNG
(CHEMBL1289038)
Show SMILES Brc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C20H19BrN4O2/c21-14-6-7-16-17(12-14)23-18(22-16)24-10-8-20(9-11-24)13-25(19(26)27-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,23)
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417393
PNG
(CHEMBL1289610)
Show SMILES Cc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C22H21F3N4O3/c1-13-18(3-2-10-26-13)29-12-21(32-20(29)30)8-6-14(7-9-21)19-27-16-5-4-15(11-17(16)28-19)31-22(23,24)25/h2-5,10-11,14H,6-9,12H2,1H3,(H,27,28)/t14-,21-
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79.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417391
PNG
(CHEMBL1290706)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)14-6-7-16-17(12-14)26-18(25-16)27-10-8-20(9-11-27)13-28(19(29)30-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,25,26)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417392
PNG
(CHEMBL1289039)
Show SMILES Fc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C20H19FN4O2/c21-14-6-7-16-17(12-14)23-18(22-16)24-10-8-20(9-11-24)13-25(19(26)27-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,23)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417389
PNG
(CHEMBL1290707)
Show SMILES O=C1OC2(CN1c1ccccc1)CCN(CC2)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H20N4O2/c25-19-24(15-6-2-1-3-7-15)14-20(26-19)10-12-23(13-11-20)18-21-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2,(H,21,22)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417390
PNG
(CHEMBL1289154)
Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)30-15-6-7-16-17(12-15)26-18(25-16)27-10-8-20(9-11-27)13-28(19(29)31-20)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,25,26)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50417389
PNG
(CHEMBL1290707)
Show SMILES O=C1OC2(CN1c1ccccc1)CCN(CC2)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H20N4O2/c25-19-24(15-6-2-1-3-7-15)14-20(26-19)10-12-23(13-11-20)18-21-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2,(H,21,22)
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417388
PNG
(CHEMBL1289714)
Show SMILES Fc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C21H18F4N4O3/c22-16-2-1-3-17(28-16)29-11-20(32-19(29)30)8-6-12(7-9-20)18-26-14-5-4-13(10-15(14)27-18)31-21(23,24)25/h1-5,10,12H,6-9,11H2,(H,26,27)/t12-,20-
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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417386
PNG
(CHEMBL1289268)
Show SMILES Fc1ccccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C22H19F4N3O3/c23-15-3-1-2-4-18(15)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-16-6-5-14(11-17(16)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)/t13-,21-
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417387
PNG
(CHEMBL1289386)
Show SMILES Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C22H19F4N3O3/c23-14-1-3-15(4-2-14)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-17-6-5-16(11-18(17)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)/t13-,21-
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417399
PNG
(CHEMBL1289936)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1
Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)14-4-5-15-16(11-14)27-18(26-15)13-6-8-20(9-7-13)12-28(19(29)30-20)17-3-1-2-10-25-17/h1-5,10-11,13H,6-9,12H2,(H,26,27)/t13-,20-
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1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417405
PNG
(CHEMBL1289267)
Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C22H20F3N3O3/c23-22(24,25)30-16-6-7-17-18(12-16)27-19(26-17)14-8-10-21(11-9-14)13-28(20(29)31-21)15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,26,27)/t14-,21-
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1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417404
PNG
(CHEMBL1289609)
Show SMILES Cc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C22H21F3N4O3/c1-13-3-2-4-18(26-13)29-12-21(32-20(29)30)9-7-14(8-10-21)19-27-16-6-5-15(11-17(16)28-19)31-22(23,24)25/h2-6,11,14H,7-10,12H2,1H3,(H,27,28)/t14-,21-
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1.58E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417408
PNG
(CHEMBL1289503)
Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1
Show InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)30-14-4-5-15-16(11-14)27-18(26-15)13-6-8-20(9-7-13)12-28(19(29)31-20)17-3-1-2-10-25-17/h1-5,10-11,13H,6-9,12H2,(H,26,27)/t13-,20-
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2.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417402
PNG
(CHEMBL1289820)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C22H20F3N3O2/c23-22(24,25)15-6-7-17-18(12-15)27-19(26-17)14-8-10-21(11-9-14)13-28(20(29)30-21)16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,26,27)/t14-,21-
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2.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417397
PNG
(CHEMBL1290147)
Show SMILES O=C1O[C@@]2(CN1c1ccccn1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N
Show InChI InChI=1S/C21H19N5O2/c22-12-14-4-5-16-17(11-14)25-19(24-16)15-6-8-21(9-7-15)13-26(20(27)28-21)18-3-1-2-10-23-18/h1-5,10-11,15H,6-9,13H2,(H,24,25)/t15-,21-
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>2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417395
PNG
(CHEMBL1289715)
Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2cccnc2)CC1
Show InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)30-15-3-4-16-17(10-15)27-18(26-16)13-5-7-20(8-6-13)12-28(19(29)31-20)14-2-1-9-25-11-14/h1-4,9-11,13H,5-8,12H2,(H,26,27)/t13-,20-
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>2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417403
PNG
(CHEMBL1290038)
Show SMILES Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C#N)OC1=O
Show InChI InChI=1S/C22H19FN4O2/c23-16-2-4-17(5-3-16)27-13-22(29-21(27)28)9-7-15(8-10-22)20-25-18-6-1-14(12-24)11-19(18)26-20/h1-6,11,15H,7-10,13H2,(H,25,26)/t15-,22-
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>2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417406
PNG
(CHEMBL1290037)
Show SMILES O=C1O[C@@]2(CN1c1ccccc1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N
Show InChI InChI=1S/C22H20N4O2/c23-13-15-6-7-18-19(12-15)25-20(24-18)16-8-10-22(11-9-16)14-26(21(27)28-22)17-4-2-1-3-5-17/h1-7,12,16H,8-11,14H2,(H,24,25)/t16-,22-
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>2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50417393
PNG
(CHEMBL1289610)
Show SMILES Cc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C22H21F3N4O3/c1-13-18(3-2-10-26-13)29-12-21(32-20(29)30)8-6-14(7-9-21)19-27-16-5-4-15(11-17(16)28-19)31-22(23,24)25/h2-5,10-11,14H,6-9,12H2,1H3,(H,27,28)/t14-,21-
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>2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50304300
PNG
(CHEMBL595573 | trans-N-[1-(2-fluorophenyl)-3-pyraz...)
Show SMILES Fc1ccccc1-n1ccc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)n1
Show InChI InChI=1S/C22H19FN4O3/c23-17-3-1-2-4-18(17)27-12-8-19(26-27)25-20(28)14-5-9-22(10-6-14)16-13-24-11-7-15(16)21(29)30-22/h1-4,7-8,11-14H,5-6,9-10H2,(H,25,26,28)/t14-,22-
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n/an/a 1.26n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417387
PNG
(CHEMBL1289386)
Show SMILES Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C22H19F4N3O3/c23-14-1-3-15(4-2-14)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-17-6-5-16(11-18(17)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)/t13-,21-
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417389
PNG
(CHEMBL1290707)
Show SMILES O=C1OC2(CN1c1ccccc1)CCN(CC2)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H20N4O2/c25-19-24(15-6-2-1-3-7-15)14-20(26-19)10-12-23(13-11-20)18-21-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2,(H,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417403
PNG
(CHEMBL1290038)
Show SMILES Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C#N)OC1=O
Show InChI InChI=1S/C22H19FN4O2/c23-16-2-4-17(5-3-16)27-13-22(29-21(27)28)9-7-15(8-10-22)20-25-18-6-1-14(12-24)11-19(18)26-20/h1-6,11,15H,7-10,13H2,(H,25,26)/t15-,22-
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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417391
PNG
(CHEMBL1290706)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)14-6-7-16-17(12-14)26-18(25-16)27-10-8-20(9-11-27)13-28(19(29)30-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,25,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417404
PNG
(CHEMBL1289609)
Show SMILES Cc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C22H21F3N4O3/c1-13-3-2-4-18(26-13)29-12-21(32-20(29)30)9-7-14(8-10-21)19-27-16-6-5-15(11-17(16)28-19)31-22(23,24)25/h2-6,11,14H,7-10,12H2,1H3,(H,27,28)/t14-,21-
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417405
PNG
(CHEMBL1289267)
Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C22H20F3N3O3/c23-22(24,25)30-16-6-7-17-18(12-16)27-19(26-17)14-8-10-21(11-9-14)13-28(20(29)31-21)15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,26,27)/t14-,21-
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417408
PNG
(CHEMBL1289503)
Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1
Show InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)30-14-4-5-15-16(11-14)27-18(26-15)13-6-8-20(9-7-13)12-28(19(29)31-20)17-3-1-2-10-25-17/h1-5,10-11,13H,6-9,12H2,(H,26,27)/t13-,20-
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417399
PNG
(CHEMBL1289936)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1
Show InChI InChI=1S/C21H19F3N4O2/c22-21(23,24)14-4-5-15-16(11-14)27-18(26-15)13-6-8-20(9-7-13)12-28(19(29)30-20)17-3-1-2-10-25-17/h1-5,10-11,13H,6-9,12H2,(H,26,27)/t13-,20-
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417388
PNG
(CHEMBL1289714)
Show SMILES Fc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C21H18F4N4O3/c22-16-2-1-3-17(28-16)29-11-20(32-19(29)30)8-6-12(7-9-20)18-26-14-5-4-13(10-15(14)27-18)31-21(23,24)25/h1-5,10,12H,6-9,11H2,(H,26,27)/t12-,20-
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417402
PNG
(CHEMBL1289820)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1
Show InChI InChI=1S/C22H20F3N3O2/c23-22(24,25)15-6-7-17-18(12-15)27-19(26-17)14-8-10-21(11-9-14)13-28(20(29)30-21)16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,26,27)/t14-,21-
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417386
PNG
(CHEMBL1289268)
Show SMILES Fc1ccccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C22H19F4N3O3/c23-15-3-1-2-4-18(15)29-12-21(32-20(29)30)9-7-13(8-10-21)19-27-16-6-5-14(11-17(16)28-19)31-22(24,25)26/h1-6,11,13H,7-10,12H2,(H,27,28)/t13-,21-
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n/an/a 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417395
PNG
(CHEMBL1289715)
Show SMILES FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2cccnc2)CC1
Show InChI InChI=1S/C21H19F3N4O3/c22-21(23,24)30-15-3-4-16-17(10-15)27-18(26-16)13-5-7-20(8-6-13)12-28(19(29)31-20)14-2-1-9-25-11-14/h1-4,9-11,13H,5-8,12H2,(H,26,27)/t13-,20-
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417406
PNG
(CHEMBL1290037)
Show SMILES O=C1O[C@@]2(CN1c1ccccc1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N
Show InChI InChI=1S/C22H20N4O2/c23-13-15-6-7-18-19(12-15)25-20(24-18)16-8-10-22(11-9-16)14-26(21(27)28-22)17-4-2-1-3-5-17/h1-7,12,16H,8-11,14H2,(H,24,25)/t16-,22-
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417397
PNG
(CHEMBL1290147)
Show SMILES O=C1O[C@@]2(CN1c1ccccn1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N
Show InChI InChI=1S/C21H19N5O2/c22-12-14-4-5-16-17(11-14)25-19(24-16)15-6-8-21(9-7-15)13-26(20(27)28-21)18-3-1-2-10-23-18/h1-5,10-11,15H,6-9,13H2,(H,24,25)/t15-,21-
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n/an/a 1.26E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417396
PNG
(CHEMBL1289819)
Show SMILES Fc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C21H18F4N4O3/c22-17-16(2-1-9-26-17)29-11-20(32-19(29)30)7-5-12(6-8-20)18-27-14-4-3-13(10-15(14)28-18)31-21(23,24)25/h1-4,9-10,12H,5-8,11H2,(H,27,28)/t12-,20-
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n/an/a 1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50417393
PNG
(CHEMBL1289610)
Show SMILES Cc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O
Show InChI InChI=1S/C22H21F3N4O3/c1-13-18(3-2-10-26-13)29-12-21(32-20(29)30)8-6-14(7-9-21)19-27-16-5-4-15(11-17(16)28-19)31-22(23,24)25/h2-5,10-11,14H,6-9,12H2,1H3,(H,27,28)/t14-,21-
PDB
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n/an/a 5.01E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide in human ERG expressed in CHO cells


Bioorg Med Chem Lett 20: 7120-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.064
BindingDB Entry DOI: 10.7270/Q2R49S2N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%