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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'castrillo' and Initial = 'a'   
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


(Rat 6B)
BDBM50163525
PNG
(CHEMBL179972 | N-(4-Benzoyl-phenyl)-2-[4-(2-oxo-4H...)
Show SMILES O=C(CN1CCC(CC1)N1C(=O)OCc2ccccc12)Nc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C28H27N3O4/c32-26(29-23-12-10-21(11-13-23)27(33)20-6-2-1-3-7-20)18-30-16-14-24(15-17-30)31-25-9-5-4-8-22(25)19-35-28(31)34/h1-13,24H,14-19H2,(H,29,32)
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n/an/a 7.60n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163516
PNG
(2-[4-(6-Fluoro-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-...)
Show SMILES Fc1ccc2N(C3CCN(CC(=O)Nc4ccc5ncccc5c4)CC3)C(=O)OCc2c1
Show InChI InChI=1S/C24H23FN4O3/c25-18-3-6-22-17(12-18)15-32-24(31)29(22)20-7-10-28(11-8-20)14-23(30)27-19-4-5-21-16(13-19)2-1-9-26-21/h1-6,9,12-13,20H,7-8,10-11,14-15H2,(H,27,30)
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n/an/a 7.70n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163541
PNG
(2-[4-(6-Chloro-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-...)
Show SMILES OC1c2ccccc2-c2cc(NC(=O)CN3CCC(CC3)N3C(=O)OCc4cc(Cl)ccc34)ccc12
Show InChI InChI=1S/C28H26ClN3O4/c29-18-5-8-25-17(13-18)16-36-28(35)32(25)20-9-11-31(12-10-20)15-26(33)30-19-6-7-23-24(14-19)21-3-1-2-4-22(21)27(23)34/h1-8,13-14,20,27,34H,9-12,15-16H2,(H,30,33)
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n/an/a 8n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163539
PNG
(CHEMBL557802 | N-(9-Hydroxy-9H-fluoren-3-yl)-2-[4-...)
Show SMILES OC1c2ccccc2-c2cc(NC(=O)CN3CCC(CC3)N3C(=O)OCc4ccccc34)ccc12
Show InChI InChI=1S/C28H27N3O4/c32-26(29-19-9-10-23-24(15-19)21-6-2-3-7-22(21)27(23)33)16-30-13-11-20(12-14-30)31-25-8-4-1-5-18(25)17-35-28(31)34/h1-10,15,20,27,33H,11-14,16-17H2,(H,29,32)
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n/an/a 8.70n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163552
PNG
(CHEMBL557540 | N-(9-Methyl-9H-carbazol-3-yl)-2-[4-...)
Show SMILES Cn1c2ccccc2c2cc(NC(=O)CN3CCC(CC3)N3C(=O)OCc4ccccc34)ccc12
Show InChI InChI=1S/C28H28N4O3/c1-30-25-9-5-3-7-22(25)23-16-20(10-11-26(23)30)29-27(33)17-31-14-12-21(13-15-31)32-24-8-4-2-6-19(24)18-35-28(32)34/h2-11,16,21H,12-15,17-18H2,1H3,(H,29,33)
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n/an/a 9.60n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163513
PNG
(CHEMBL541121 | N-(4-Benzoyl-phenyl)-2-[4-(6-chloro...)
Show SMILES Clc1ccc2N(C3CCN(CC(=O)Nc4ccc(cc4)C(=O)c4ccccc4)CC3)C(=O)OCc2c1
Show InChI InChI=1S/C28H26ClN3O4/c29-22-8-11-25-21(16-22)18-36-28(35)32(25)24-12-14-31(15-13-24)17-26(33)30-23-9-6-20(7-10-23)27(34)19-4-2-1-3-5-19/h1-11,16,24H,12-15,17-18H2,(H,30,33)
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n/an/a 11.2n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163545
PNG
(CHEMBL537412 | N-(4-Acetyl-phenyl)-2-[4-(2-oxo-4H-...)
Show SMILES CC(=O)c1ccc(NC(=O)CN2CCC(CC2)N2C(=O)OCc3ccccc23)cc1
Show InChI InChI=1S/C23H25N3O4/c1-16(27)17-6-8-19(9-7-17)24-22(28)14-25-12-10-20(11-13-25)26-21-5-3-2-4-18(21)15-30-23(26)29/h2-9,20H,10-15H2,1H3,(H,24,28)
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n/an/a 17.3n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163535
PNG
(2-[4-(2-Oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin...)
Show SMILES O=C(CN1CCC(CC1)N1C(=O)OCc2ccccc12)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H27N3O4/c31-26(28-21-10-12-24(13-11-21)34-23-7-2-1-3-8-23)18-29-16-14-22(15-17-29)30-25-9-5-4-6-20(25)19-33-27(30)32/h1-13,22H,14-19H2,(H,28,31)
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n/an/a 20n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163526
PNG
(CHEMBL537191 | N-(4-Acetyl-phenyl)-2-[4-(6-chloro-...)
Show SMILES CC(=O)c1ccc(NC(=O)CN2CCC(CC2)N2C(=O)OCc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C23H24ClN3O4/c1-15(28)16-2-5-19(6-3-16)25-22(29)13-26-10-8-20(9-11-26)27-21-7-4-18(24)12-17(21)14-31-23(27)30/h2-7,12,20H,8-11,13-14H2,1H3,(H,25,29)
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n/an/a 21n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM19992
PNG
(2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...)
Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)
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n/an/a 23n/an/an/an/an/an/a



GNF



Assay Description
SPA assays were run in displacement mode using 30 nM [3H]-GW3965. Ligands were tested in 12-point dose-response curves starting at 20 uM. IC50 values...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163512
PNG
(2-[4-(2-Oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin...)
Show SMILES O=C(CN1CCC(CC1)N1C(=O)OCc2ccccc12)Nc1ccc2C(=O)c3ccccc3-c2c1
Show InChI InChI=1S/C28H25N3O4/c32-26(29-19-9-10-23-24(15-19)21-6-2-3-7-22(21)27(23)33)16-30-13-11-20(12-14-30)31-25-8-4-1-5-18(25)17-35-28(31)34/h1-10,15,20H,11-14,16-17H2,(H,29,32)
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n/an/a 23.3n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163538
PNG
(2-[4-(6-Chloro-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-...)
Show SMILES Clc1ccc2N(C3CCN(CC(=O)Nc4ccc5C(=O)c6ccccc6-c5c4)CC3)C(=O)OCc2c1
Show InChI InChI=1S/C28H24ClN3O4/c29-18-5-8-25-17(13-18)16-36-28(35)32(25)20-9-11-31(12-10-20)15-26(33)30-19-6-7-23-24(14-19)21-3-1-2-4-22(21)27(23)34/h1-8,13-14,20H,9-12,15-16H2,(H,30,33)
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n/an/a 25n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163548
PNG
(CHEMBL537187 | N-(4-Acetyl-phenyl)-2-[4-(6-methyl-...)
Show SMILES CC(=O)c1ccc(NC(=O)CN2CCC(CC2)N2C(=O)OCc3cc(C)ccc23)cc1
Show InChI InChI=1S/C24H27N3O4/c1-16-3-8-22-19(13-16)15-31-24(30)27(22)21-9-11-26(12-10-21)14-23(29)25-20-6-4-18(5-7-20)17(2)28/h3-8,13,21H,9-12,14-15H2,1-2H3,(H,25,29)
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n/an/a 26n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163529
PNG
(CHEMBL535824 | N-(9-Hydroxy-9H-fluoren-3-yl)-2-[4-...)
Show SMILES Cc1cccc2COC(=O)N(C3CCN(CC(=O)Nc4ccc5C(O)c6ccccc6-c5c4)CC3)c12
Show InChI InChI=1S/C29H29N3O4/c1-18-5-4-6-19-17-36-29(35)32(27(18)19)21-11-13-31(14-12-21)16-26(33)30-20-9-10-24-25(15-20)22-7-2-3-8-23(22)28(24)34/h2-10,15,21,28,34H,11-14,16-17H2,1H3,(H,30,33)
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n/an/a 30n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163511
PNG
(CHEMBL536276 | N-(4-Benzoyl-phenyl)-2-[4-(8-methyl...)
Show SMILES Cc1cccc2COC(=O)N(C3CCN(CC(=O)Nc4ccc(cc4)C(=O)c4ccccc4)CC3)c12
Show InChI InChI=1S/C29H29N3O4/c1-20-6-5-9-23-19-36-29(35)32(27(20)23)25-14-16-31(17-15-25)18-26(33)30-24-12-10-22(11-13-24)28(34)21-7-3-2-4-8-21/h2-13,25H,14-19H2,1H3,(H,30,33)
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n/an/a 39.6n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163521
PNG
(2-[4-(8-Methyl-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-...)
Show SMILES Cc1cccc2COC(=O)N(C3CCN(CC(=O)Nc4ccc5C(=O)c6ccccc6-c5c4)CC3)c12
Show InChI InChI=1S/C29H27N3O4/c1-18-5-4-6-19-17-36-29(35)32(27(18)19)21-11-13-31(14-12-21)16-26(33)30-20-9-10-24-25(15-20)22-7-2-3-8-23(22)28(24)34/h2-10,15,21H,11-14,16-17H2,1H3,(H,30,33)
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Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163514
PNG
(CHEMBL540365 | N-(9-Ethyl-9H-carbazol-3-yl)-2-[4-(...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CN3CCC(CC3)N3C(=O)OCc4cccc(C)c34)ccc12
Show InChI InChI=1S/C30H32N4O3/c1-3-33-26-10-5-4-9-24(26)25-17-22(11-12-27(25)33)31-28(35)18-32-15-13-23(14-16-32)34-29-20(2)7-6-8-21(29)19-37-30(34)36/h4-12,17,23H,3,13-16,18-19H2,1-2H3,(H,31,35)
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Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163531
PNG
(CHEMBL557817 | N-(9-Ethyl-9H-carbazol-3-yl)-2-[4-(...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CN3CCC(CC3)N3C(=O)OCc4c(Cl)cccc34)ccc12
Show InChI InChI=1S/C29H29ClN4O3/c1-2-33-25-8-4-3-6-21(25)22-16-19(10-11-26(22)33)31-28(35)17-32-14-12-20(13-15-32)34-27-9-5-7-24(30)23(27)18-37-29(34)36/h3-11,16,20H,2,12-15,17-18H2,1H3,(H,31,35)
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n/an/a 54.6n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163540
PNG
(CHEMBL365777 | N-Dibenzofuran-2-yl-2-[4-(8-methoxy...)
Show SMILES COc1cccc2COC(=O)N(C3CCN(CC(=O)Nc4ccc5oc6ccccc6c5c4)CC3)c12
Show InChI InChI=1S/C28H27N3O5/c1-34-25-8-4-5-18-17-35-28(33)31(27(18)25)20-11-13-30(14-12-20)16-26(32)29-19-9-10-24-22(15-19)21-6-2-3-7-23(21)36-24/h2-10,15,20H,11-14,16-17H2,1H3,(H,29,32)
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n/an/a 55.7n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163550
PNG
(2-[4-(6-Chloro-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-...)
Show SMILES Clc1ccc2N(C3CCN(CC(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)C(=O)OCc2c1
Show InChI InChI=1S/C27H26ClN3O4/c28-20-6-11-25-19(16-20)18-34-27(33)31(25)22-12-14-30(15-13-22)17-26(32)29-21-7-9-24(10-8-21)35-23-4-2-1-3-5-23/h1-11,16,22H,12-15,17-18H2,(H,29,32)
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n/an/a 60.7n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM20132
PNG
((2R)-5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-...)
Show SMILES COc1cccc([C@H]2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |r,c:9|
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3/t23-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



GNF



Assay Description
SPA assays were run in displacement mode using 30 nM [3H]-GW3965. Ligands were tested in 12-point dose-response curves starting at 20 uM. IC50 values...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163530
PNG
(2-[4-(6-Chloro-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-...)
Show SMILES Clc1ccc2N(C3CCN(CC(=O)Nc4ccc5-c6ccccc6C(=O)c5c4)CC3)C(=O)OCc2c1
Show InChI InChI=1S/C28H24ClN3O4/c29-18-5-8-25-17(13-18)16-36-28(35)32(25)20-9-11-31(12-10-20)15-26(33)30-19-6-7-22-21-3-1-2-4-23(21)27(34)24(22)14-19/h1-8,13-14,20H,9-12,15-16H2,(H,30,33)
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n/an/a 69n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163533
PNG
(2-[4-(6-Methyl-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-...)
Show SMILES Cc1ccc2N(C3CCN(CC(=O)Nc4ccc5-c6ccccc6C(=O)c5c4)CC3)C(=O)OCc2c1
Show InChI InChI=1S/C29H27N3O4/c1-18-6-9-26-19(14-18)17-36-29(35)32(26)21-10-12-31(13-11-21)16-27(33)30-20-7-8-23-22-4-2-3-5-24(22)28(34)25(23)15-20/h2-9,14-15,21H,10-13,16-17H2,1H3,(H,30,33)
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n/an/a 86.7n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163524
PNG
(2-[4-(5-Chloro-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CN3CCC(CC3)N3C(=O)OCc4cc(Cl)ccc34)ccc12
Show InChI InChI=1S/C29H29ClN4O3/c1-2-33-26-6-4-3-5-23(26)24-16-21(8-10-27(24)33)31-28(35)17-32-13-11-22(12-14-32)34-25-9-7-20(30)15-19(25)18-37-29(34)36/h3-10,15-16,22H,2,11-14,17-18H2,1H3,(H,31,35)
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Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163519
PNG
(2-[4-(6-Methyl-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-...)
Show SMILES Cc1ccc2N(C3CCN(CC(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)C(=O)OCc2c1
Show InChI InChI=1S/C28H29N3O4/c1-20-7-12-26-21(17-20)19-34-28(33)31(26)23-13-15-30(16-14-23)18-27(32)29-22-8-10-25(11-9-22)35-24-5-3-2-4-6-24/h2-12,17,23H,13-16,18-19H2,1H3,(H,29,32)
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Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163522
PNG
(2-[4-(6-Chloro-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-...)
Show SMILES Clc1ccc2N(C3CCN(CC(=O)Nc4ccc(cc4)C4CCCCC4)CC3)C(=O)OCc2c1
Show InChI InChI=1S/C27H32ClN3O3/c28-22-8-11-25-21(16-22)18-34-27(33)31(25)24-12-14-30(15-13-24)17-26(32)29-23-9-6-20(7-10-23)19-4-2-1-3-5-19/h6-11,16,19,24H,1-5,12-15,17-18H2,(H,29,32)
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Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM19992
PNG
(2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...)
Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)
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n/an/a 121n/an/an/an/an/an/a



GNF



Assay Description
SPA assays were run in displacement mode using 30 nM [3H]-GW3965. Ligands were tested in 12-point dose-response curves starting at 20 uM. IC50 values...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163549
PNG
(CHEMBL556999 | N-(4-Cyano-phenyl)-2-[4-(2-oxo-4H-b...)
Show SMILES O=C(CN1CCC(CC1)N1C(=O)OCc2ccccc12)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C22H22N4O3/c23-13-16-5-7-18(8-6-16)24-21(27)14-25-11-9-19(10-12-25)26-20-4-2-1-3-17(20)15-29-22(26)28/h1-8,19H,9-12,14-15H2,(H,24,27)
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n/an/a 132n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163520
PNG
(2-[4-(2-Oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin...)
Show SMILES O=C(CN1CCC(CC1)N1C(=O)OCc2ccccc12)Nc1cccc2C(=O)c3ccccc3-c12
Show InChI InChI=1S/C28H25N3O4/c32-25(29-23-10-5-9-22-26(23)20-7-2-3-8-21(20)27(22)33)16-30-14-12-19(13-15-30)31-24-11-4-1-6-18(24)17-35-28(31)34/h1-11,19H,12-17H2,(H,29,32)
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n/an/a 138n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163547
PNG
(2-[4-(6-Chloro-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-...)
Show SMILES Clc1ccc2N(C3CCN(CC(=O)Nc4ccc5ncccc5c4)CC3)C(=O)OCc2c1
Show InChI InChI=1S/C24H23ClN4O3/c25-18-3-6-22-17(12-18)15-32-24(31)29(22)20-7-10-28(11-8-20)14-23(30)27-19-4-5-21-16(13-19)2-1-9-26-21/h1-6,9,12-13,20H,7-8,10-11,14-15H2,(H,27,30)
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n/an/a 148n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163532
PNG
(2-[4-(6-Chloro-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-...)
Show SMILES Clc1ccc2N(C3CCN(CC(=O)Nc4ccc(cc4)C#N)CC3)C(=O)OCc2c1
Show InChI InChI=1S/C22H21ClN4O3/c23-17-3-6-20-16(11-17)14-30-22(29)27(20)19-7-9-26(10-8-19)13-21(28)25-18-4-1-15(12-24)2-5-18/h1-6,11,19H,7-10,13-14H2,(H,25,28)
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n/an/a 199n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163528
PNG
(CHEMBL558393 | N-(4-Chloro-phenyl)-2-[4-(2-oxo-4H-...)
Show SMILES Clc1ccc(NC(=O)CN2CCC(CC2)N2C(=O)OCc3ccccc23)cc1
Show InChI InChI=1S/C21H22ClN3O3/c22-16-5-7-17(8-6-16)23-20(26)13-24-11-9-18(10-12-24)25-19-4-2-1-3-15(19)14-28-21(25)27/h1-8,18H,9-14H2,(H,23,26)
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Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM20131
PNG
(5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3
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GNF



Assay Description
SPA assays were run in displacement mode using 30 nM [3H]-GW3965. Ligands were tested in 12-point dose-response curves starting at 20 uM. IC50 values...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163542
PNG
(CHEMBL538569 | N-(9-Ethyl-9H-carbazol-3-yl)-2-[4-(...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CN3CCC(CC3)N3C(=O)OCc4cccc(OC)c34)ccc12
Show InChI InChI=1S/C30H32N4O4/c1-3-33-25-9-5-4-8-23(25)24-17-21(11-12-26(24)33)31-28(35)18-32-15-13-22(14-16-32)34-29-20(19-38-30(34)36)7-6-10-27(29)37-2/h4-12,17,22H,3,13-16,18-19H2,1-2H3,(H,31,35)
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n/an/a 765n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163551
PNG
(2-[4-(8-Methyl-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-...)
Show SMILES Cc1cccc2COC(=O)N(C3CCN(CC(=O)Nc4ccccc4)CC3)c12
Show InChI InChI=1S/C22H25N3O3/c1-16-6-5-7-17-15-28-22(27)25(21(16)17)19-10-12-24(13-11-19)14-20(26)23-18-8-3-2-4-9-18/h2-9,19H,10-15H2,1H3,(H,23,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163515
PNG
(CHEMBL536496 | N-(4-Cyclohexyl-phenyl)-2-[4-(2-oxo...)
Show SMILES O=C(CN1CCC(CC1)N1C(=O)OCc2ccccc12)Nc1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C27H33N3O3/c31-26(28-23-12-10-21(11-13-23)20-6-2-1-3-7-20)18-29-16-14-24(15-17-29)30-25-9-5-4-8-22(25)19-33-27(30)32/h4-5,8-13,20,24H,1-3,6-7,14-19H2,(H,28,31)
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Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163534
PNG
(CHEMBL536729 | N-(2-Benzoyl-phenyl)-2-[4-(6-chloro...)
Show SMILES Clc1ccc2N(C3CCN(CC(=O)Nc4ccccc4C(=O)c4ccccc4)CC3)C(=O)OCc2c1
Show InChI InChI=1S/C28H26ClN3O4/c29-21-10-11-25-20(16-21)18-36-28(35)32(25)22-12-14-31(15-13-22)17-26(33)30-24-9-5-4-8-23(24)27(34)19-6-2-1-3-7-19/h1-11,16,22H,12-15,17-18H2,(H,30,33)
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Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163536
PNG
(CHEMBL534483 | N-(4-Chloro-phenyl)-2-[4-(8-methyl-...)
Show SMILES Cc1cccc2COC(=O)N(C3CCN(CC(=O)Nc4ccc(Cl)cc4)CC3)c12
Show InChI InChI=1S/C22H24ClN3O3/c1-15-3-2-4-16-14-29-22(28)26(21(15)16)19-9-11-25(12-10-19)13-20(27)24-18-7-5-17(23)6-8-18/h2-8,19H,9-14H2,1H3,(H,24,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163537
PNG
(2-{2-[4-(2-Oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperi...)
Show SMILES COC(=O)c1ccccc1NC(=O)CN1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C23H25N3O5/c1-30-22(28)18-7-3-4-8-19(18)24-21(27)14-25-12-10-17(11-13-25)26-20-9-5-2-6-16(20)15-31-23(26)29/h2-9,17H,10-15H2,1H3,(H,24,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163543
PNG
(2-{2-[4-(8-Methyl-2-oxo-4H-benzo[d][1,3]oxazin-1-y...)
Show SMILES COC(=O)c1ccccc1NC(=O)CN1CCC(CC1)N1C(=O)OCc2cccc(C)c12
Show InChI InChI=1S/C24H27N3O5/c1-16-6-5-7-17-15-32-24(30)27(22(16)17)18-10-12-26(13-11-18)14-21(28)25-20-9-4-3-8-19(20)23(29)31-2/h3-9,18H,10-15H2,1-2H3,(H,25,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163544
PNG
(2-{2-[4-(6-Methyl-2-oxo-4H-benzo[d][1,3]oxazin-1-y...)
Show SMILES COC(=O)c1ccccc1NC(=O)CN1CCC(CC1)N1C(=O)OCc2cc(C)ccc12
Show InChI InChI=1S/C24H27N3O5/c1-16-7-8-21-17(13-16)15-32-24(30)27(21)18-9-11-26(12-10-18)14-22(28)25-20-6-4-3-5-19(20)23(29)31-2/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,25,28)
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163546
PNG
(2-[4-(2-Oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin...)
Show SMILES O=C(CN1CCC(CC1)N1C(=O)OCc2ccccc12)Nc1ccccc1
Show InChI InChI=1S/C21H23N3O3/c25-20(22-17-7-2-1-3-8-17)14-23-12-10-18(11-13-23)24-19-9-5-4-6-16(19)15-27-21(24)26/h1-9,18H,10-15H2,(H,22,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163527
PNG
(CHEMBL553250 | N-(2-Benzoyl-phenyl)-2-[4-(8-methyl...)
Show SMILES Cc1cccc2COC(=O)N(C3CCN(CC(=O)Nc4ccccc4C(=O)c4ccccc4)CC3)c12
Show InChI InChI=1S/C29H29N3O4/c1-20-8-7-11-22-19-36-29(35)32(27(20)22)23-14-16-31(17-15-23)18-26(33)30-25-13-6-5-12-24(25)28(34)21-9-3-2-4-10-21/h2-13,23H,14-19H2,1H3,(H,30,33)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163518
PNG
(2-[4-(2-Oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin...)
Show SMILES O=C(CN1CCC(CC1)N1C(=O)OCc2ccccc12)Nc1ccc2-c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C28H25N3O4/c32-26(29-19-9-10-22-21-6-2-3-7-23(21)27(33)24(22)15-19)16-30-13-11-20(12-14-30)31-25-8-4-1-5-18(25)17-35-28(31)34/h1-10,15,20H,11-14,16-17H2,(H,29,32)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163517
PNG
(2-{2-[4-(6-Chloro-2-oxo-4H-benzo[d][1,3]oxazin-1-y...)
Show SMILES COC(=O)c1ccccc1NC(=O)CN1CCC(CC1)N1C(=O)OCc2cc(Cl)ccc12
Show InChI InChI=1S/C23H24ClN3O5/c1-31-22(29)18-4-2-3-5-19(18)25-21(28)13-26-10-8-17(9-11-26)27-20-7-6-16(24)12-15(20)14-32-23(27)30/h2-7,12,17H,8-11,13-14H2,1H3,(H,25,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50163523
PNG
(CHEMBL534710 | N-(2-Benzoyl-phenyl)-2-[4-(2-oxo-4H...)
Show SMILES O=C(CN1CCC(CC1)N1C(=O)OCc2ccccc12)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C28H27N3O4/c32-26(29-24-12-6-5-11-23(24)27(33)20-8-2-1-3-9-20)18-30-16-14-22(15-17-30)31-25-13-7-4-10-21(25)19-35-28(31)34/h1-13,22H,14-19H2,(H,29,32)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Laboratorios Dr. Esteve, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells


J Med Chem 48: 2080-92 (2005)


Article DOI: 10.1021/jm049599u
BindingDB Entry DOI: 10.7270/Q24X58K0
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM20132
PNG
((2R)-5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-...)
Show SMILES COc1cccc([C@H]2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |r,c:9|
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3/t23-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



GNF



Assay Description
SPA assays were run in displacement mode using 30 nM [3H]-GW3965. Ligands were tested in 12-point dose-response curves starting at 20 uM. IC50 values...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM20131
PNG
(5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3
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n/an/a 9.80E+3n/an/an/an/an/an/a



GNF



Assay Description
SPA assays were run in displacement mode using 30 nM [3H]-GW3965. Ligands were tested in 12-point dose-response curves starting at 20 uM. IC50 values...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM19992
PNG
(2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...)
Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)
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n/an/an/an/a 97n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM20131
PNG
(5-(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-3-[(2,4...)
Show SMILES COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |c:9|
Show InChI InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3
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n/an/an/an/a 2.30E+3n/an/a7.237



GNF



Assay Description
FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotin...


J Med Chem 50: 4255-9 (2007)


Article DOI: 10.1021/jm070453f
BindingDB Entry DOI: 10.7270/Q2BK19N6
More data for this
Ligand-Target Pair
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