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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'rayner' and Initial = 'jw'   
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


(Homo sapiens (Human))		BDBM50116590
PNG
(CHEMBL325486 | N-(9-Methanesulfonyl-9H-carbazol-3-...)
Show SMILES CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C21H19N3O3S/c1-28(26,27)24-19-5-3-2-4-17(19)18-14-16(7-8-20(18)24)23-21(25)9-6-15-10-12-22-13-11-15/h2-5,7-8,10-14H,6,9H2,1H3,(H,23,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116610
PNG
(CHEMBL119743 | N-(9-Isopropyl-9H-carbazol-3-yl)-3-...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C23H23N3O/c1-16(2)26-21-6-4-3-5-19(21)20-15-18(8-9-22(20)26)25-23(27)10-7-17-11-13-24-14-12-17/h3-6,8-9,11-16H,7,10H2,1-2H3,(H,25,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116619
PNG
(CHEMBL117563 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccc(NC(=O)N3CCOCC3)cc2c2cccc(C)c12
Show InChI InChI=1S/C21H25N3O2/c1-14(2)24-19-8-7-16(22-21(25)23-9-11-26-12-10-23)13-18(19)17-6-4-5-15(3)20(17)24/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116602
PNG
(CHEMBL419951 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C20H23N3O2/c1-14(2)23-18-6-4-3-5-16(18)17-13-15(7-8-19(17)23)21-20(24)22-9-11-25-12-10-22/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116600
PNG
(CHEMBL325475 | N-(9-Ethyl-9H-carbazol-3-yl)-3-pyri...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(8-9-21(19)25)24-22(26)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,2,7,10H2,1H3,(H,24,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116605
PNG
(CHEMBL432628 | Morpholine-4-carboxylic acid (6-flu...)
Show SMILES CC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C20H22FN3O2/c1-13(2)24-18-5-3-14(21)11-16(18)17-12-15(4-6-19(17)24)22-20(25)23-7-9-26-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116592
PNG
(CHEMBL325226 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C21H25N3O2/c1-14(2)24-18-7-5-4-6-16(18)20-15(3)17(8-9-19(20)24)22-21(25)23-10-12-26-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116617
PNG
(CHEMBL116210 | N-(9-Acetyl-9H-carbazol-3-yl)-3-pyr...)
Show SMILES CC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C22H19N3O2/c1-15(26)25-20-5-3-2-4-18(20)19-14-17(7-8-21(19)25)24-22(27)9-6-16-10-12-23-13-11-16/h2-5,7-8,10-14H,6,9H2,1H3,(H,24,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116592
PNG
(CHEMBL325226 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C21H25N3O2/c1-14(2)24-18-7-5-4-6-16(18)20-15(3)17(8-9-19(20)24)22-21(25)23-10-12-26-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Compound was evaluated for functional antagonism of Neuropeptide Y receptor Y5 activity in cellular Ca flux

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)		BDBM50116600
PNG
(CHEMBL325475 | N-(9-Ethyl-9H-carbazol-3-yl)-3-pyri...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(8-9-21(19)25)24-22(26)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,2,7,10H2,1H3,(H,24,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity against rat Neuropeptide Y receptor Y5

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116597
PNG
(CHEMBL119247 | Morpholine-4-carboxylic acid (9-eth...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C19H21N3O2/c1-2-22-17-6-4-3-5-15(17)16-13-14(7-8-18(16)22)20-19(23)21-9-11-24-12-10-21/h3-8,13H,2,9-12H2,1H3,(H,20,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116608
PNG
(CHEMBL117922 | N-(9-Dimethylsulfamoyl-9H-carbazol-...)
Show SMILES CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C22H22N4O3S/c1-25(2)30(28,29)26-20-6-4-3-5-18(20)19-15-17(8-9-21(19)26)24-22(27)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,7,10H2,1-2H3,(H,24,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116600
PNG
(CHEMBL325475 | N-(9-Ethyl-9H-carbazol-3-yl)-3-pyri...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(8-9-21(19)25)24-22(26)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,2,7,10H2,1H3,(H,24,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for human Neuropeptide Y receptor Y5 functional antagonism (reporter gene assay)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116607
PNG
(CHEMBL325639 | Morpholine-4-carboxylic acid (2,4-d...)
Show SMILES CC(C)n1c2ccccc2c2c(F)c(NC(=O)N3CCOCC3)c(F)cc12
Show InChI InChI=1S/C20H21F2N3O2/c1-12(2)25-15-6-4-3-5-13(15)17-16(25)11-14(21)19(18(17)22)23-20(26)24-7-9-27-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H,23,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116603
PNG
(CHEMBL443809 | Morpholine-4-carboxylic acid (9-met...)
Show SMILES CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C18H19N3O4S/c1-26(23,24)21-16-5-3-2-4-14(16)15-12-13(6-7-17(15)21)19-18(22)20-8-10-25-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116612
PNG
(CHEMBL118973 | N-(9-Methyl-9H-carbazol-3-yl)-3-pyr...)
Show SMILES Cn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
Show InChI InChI=1S/C21H19N3O/c1-24-19-5-3-2-4-17(19)18-14-16(7-8-20(18)24)23-21(25)9-6-15-10-12-22-13-11-15/h2-5,7-8,10-14H,6,9H2,1H3,(H,23,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116592
PNG
(CHEMBL325226 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C21H25N3O2/c1-14(2)24-18-7-5-4-6-16(18)20-15(3)17(8-9-19(20)24)22-21(25)23-10-12-26-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for: human Neuropeptide Y receptor Y5 functional antagonism

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116618
PNG
(CHEMBL324028 | Morpholine-4-carboxylic acid [9-(te...)
Show SMILES O=C(Nc1ccc2n(C3CCOC3)c3ccccc3c2c1)N1CCOCC1
Show InChI InChI=1S/C21H23N3O3/c25-21(23-8-11-26-12-9-23)22-15-5-6-20-18(13-15)17-3-1-2-4-19(17)24(20)16-7-10-27-14-16/h1-6,13,16H,7-12,14H2,(H,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116609
PNG
(CHEMBL119426 | Morpholine-4-carboxylic acid [9-(2,...)
Show SMILES CC(C)(C)Cn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C22H27N3O2/c1-22(2,3)15-25-19-7-5-4-6-17(19)18-14-16(8-9-20(18)25)23-21(26)24-10-12-27-13-11-24/h4-9,14H,10-13,15H2,1-3H3,(H,23,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116613
PNG
(CHEMBL325666 | N-(9H-Carbazol-3-yl)-3-pyridin-4-yl...)
Show SMILES O=C(CCc1ccncc1)Nc1ccc2[nH]c3ccccc3c2c1
Show InChI InChI=1S/C20H17N3O/c24-20(8-5-14-9-11-21-12-10-14)22-15-6-7-19-17(13-15)16-3-1-2-4-18(16)23-19/h1-4,6-7,9-13,23H,5,8H2,(H,22,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116594
PNG
(CHEMBL118098 | Morpholine-4-carboxylic acid (4-eth...)
Show SMILES CCOc1c(NC(=O)N2CCOCC2)ccc2n(C(C)C)c3ccccc3c12
Show InChI InChI=1S/C22H27N3O3/c1-4-28-21-17(23-22(26)24-11-13-27-14-12-24)9-10-19-20(21)16-7-5-6-8-18(16)25(19)15(2)3/h5-10,15H,4,11-14H2,1-3H3,(H,23,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116604
PNG
(CHEMBL327151 | N-(4-Benzoyl-phenyl)-3-pyridin-4-yl...)
Show SMILES O=C(CCc1ccncc1)Nc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H18N2O2/c24-20(11-6-16-12-14-22-15-13-16)23-19-9-7-18(8-10-19)21(25)17-4-2-1-3-5-17/h1-5,7-10,12-15H,6,11H2,(H,23,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116598
PNG
(CHEMBL331019 | N-(4-Benzoyl-phenyl)-2-(pyridin-4-y...)
Show SMILES O=C(CSc1ccncc1)Nc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H16N2O2S/c23-19(14-25-18-10-12-21-13-11-18)22-17-8-6-16(7-9-17)20(24)15-4-2-1-3-5-15/h1-13H,14H2,(H,22,23)
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n/an/a 350n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116615
PNG
(CHEMBL324366 | Morpholine-4-carboxylic acid (9-dim...)
Show SMILES CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
Show InChI InChI=1S/C19H22N4O4S/c1-21(2)28(25,26)23-17-6-4-3-5-15(17)16-13-14(7-8-18(16)23)20-19(24)22-9-11-27-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,20,24)
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n/an/a 350n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116599
PNG
(CHEMBL119726 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)c(C)cc12
Show InChI InChI=1S/C22H27N3O2/c1-14(2)25-18-8-6-5-7-17(18)20-16(4)21(15(3)13-19(20)25)23-22(26)24-9-11-27-12-10-24/h5-8,13-14H,9-12H2,1-4H3,(H,23,26)
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n/an/a 390n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116616
PNG
(CHEMBL117684 | N-(9-Ethyl-9H-carbazol-1-yl)-3-pyri...)
Show SMILES CCn1c2ccccc2c2cccc(NC(=O)CCc3ccncc3)c12
Show InChI InChI=1S/C22H21N3O/c1-2-25-20-9-4-3-6-17(20)18-7-5-8-19(22(18)25)24-21(26)11-10-16-12-14-23-15-13-16/h3-9,12-15H,2,10-11H2,1H3,(H,24,26)
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n/an/a 440n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116606
PNG
(9-Ethyl-9H-carbazole-3-carboxylic acid (2-pyridin-...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)C(=O)NCCc1ccncc1
Show InChI InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(7-8-21(19)25)22(26)24-14-11-16-9-12-23-13-10-16/h3-10,12-13,15H,2,11,14H2,1H3,(H,24,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116611
PNG
(CHEMBL117469 | Morpholine-4-carboxylic acid (9-iso...)
Show SMILES CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)cc(C)c12
Show InChI InChI=1S/C22H27N3O2/c1-14(2)25-19-8-6-5-7-17(19)20-16(4)18(13-15(3)21(20)25)23-22(26)24-9-11-27-12-10-24/h5-8,13-14H,9-12H2,1-4H3,(H,23,26)
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n/an/a 710n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116601
PNG
(CHEMBL118710 | Morpholine-4-carboxylic acid (4,9-d...)
Show SMILES CC(C)c1c(NC(=O)N2CCOCC2)ccc2n(C(C)C)c3ccccc3c12
Show InChI InChI=1S/C23H29N3O2/c1-15(2)21-18(24-23(27)25-11-13-28-14-12-25)9-10-20-22(21)17-7-5-6-8-19(17)26(20)16(3)4/h5-10,15-16H,11-14H2,1-4H3,(H,24,27)
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n/an/a 770n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116593
PNG
(CHEMBL115690 | N-(9-Ethyl-9H-carbazol-2-yl)-3-pyri...)
Show SMILES CCn1c2ccccc2c2ccc(NC(=O)CCc3ccncc3)cc12
Show InChI InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-9-8-17(15-21(19)25)24-22(26)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,2,7,10H2,1H3,(H,24,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116595
PNG
(CHEMBL435384 | N-(9-Ethyl-9H-carbazol-3-yl)-N-meth...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)N(C)C(=O)CCc1ccncc1
Show InChI InChI=1S/C23H23N3O/c1-3-26-21-7-5-4-6-19(21)20-16-18(9-10-22(20)26)25(2)23(27)11-8-17-12-14-24-15-13-17/h4-7,9-10,12-16H,3,8,11H2,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116591
PNG
(2-(9-Ethyl-9H-carbazol-3-yl)-N-pyridin-4-ylmethyl-...)
Show SMILES CCn1c2ccccc2c2cc(CC(=O)NCc3ccncc3)ccc12
Show InChI InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-13-17(7-8-21(19)25)14-22(26)24-15-16-9-11-23-12-10-16/h3-13H,2,14-15H2,1H3,(H,24,26)
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n/an/a 2.25E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116614
PNG
(CHEMBL117626 | N-(9-Ethyl-9H-carbazol-3-ylmethyl)-...)
Show SMILES CCn1c2ccccc2c2cc(CNC(=O)Cc3ccncc3)ccc12
Show InChI InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-13-17(7-8-21(19)25)15-24-22(26)14-16-9-11-23-12-10-16/h3-13H,2,14-15H2,1H3,(H,24,26)
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n/an/a 3.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50116596
PNG
(CHEMBL331581 | N-(9-Ethyl-9H-carbazol-4-yl)-3-pyri...)
Show SMILES CCn1c2ccccc2c2c(NC(=O)CCc3ccncc3)cccc12
Show InChI InChI=1S/C22H21N3O/c1-2-25-19-8-4-3-6-17(19)22-18(7-5-9-20(22)25)24-21(26)11-10-16-12-14-23-15-13-16/h3-9,12-15H,2,10-11H2,1H3,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)

J Med Chem 45: 3509-23 (2002)


BindingDB Entry DOI: 10.7270/Q27S7N3K
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165025
PNG
(6-[3-Isopropoxy-5-(2-pyridin-3-yl-ethoxy)-benzoyla...)
Show SMILES CC(C)Oc1cc(OCCc2cccnc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-15(2)31-20-11-18(22(27)26-21-6-5-17(14-25-21)23(28)29)10-19(12-20)30-9-7-16-4-3-8-24-13-16/h3-6,8,10-15H,7,9H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/an/an/a 1.26E+3n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165026
PNG
(6-(2-Benzyloxy-5-methylsulfanyl-benzoylamino)-nico...)
Show SMILES CSc1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C21H18N2O4S/c1-28-16-8-9-18(27-13-14-5-3-2-4-6-14)17(11-16)20(24)23-19-10-7-15(12-22-19)21(25)26/h2-12H,13H2,1H3,(H,25,26)(H,22,23,24)
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n/an/an/an/a 4.22E+3n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165028
PNG
(6-[(E)-2-(2-Benzyloxy-5-methylsulfanyl-phenyl)-vin...)
Show SMILES CSc1ccc(OCc2ccccc2)c(\C=C\c2ccc(cn2)C(O)=O)c1
Show InChI InChI=1S/C22H19NO3S/c1-27-20-11-12-21(26-15-16-5-3-2-4-6-16)17(13-20)7-9-19-10-8-18(14-23-19)22(24)25/h2-14H,15H2,1H3,(H,24,25)/b9-7+
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n/an/an/an/a 3.20E+3n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165027
PNG
(6-[2-(3,5-Bis-benzyloxy-phenyl)-ethyl]-nicotinic a...)
Show SMILES OC(=O)c1ccc(CCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1
Show InChI InChI=1S/C28H25NO4/c30-28(31)24-12-14-25(29-18-24)13-11-23-15-26(32-19-21-7-3-1-4-8-21)17-27(16-23)33-20-22-9-5-2-6-10-22/h1-10,12,14-18H,11,13,19-20H2,(H,30,31)
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AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165029
PNG
(6-[3-(2-Cyclopentyl-ethoxy)-5-isopropoxy-benzoylam...)
Show SMILES CC(C)Oc1cc(OCCC2CCCC2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C23H28N2O5/c1-15(2)30-20-12-18(11-19(13-20)29-10-9-16-5-3-4-6-16)22(26)25-21-8-7-17(14-24-21)23(27)28/h7-8,11-16H,3-6,9-10H2,1-2H3,(H,27,28)(H,24,25,26)
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n/an/an/an/a 170n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165030
PNG
(6-(3,5-Bis-benzyloxy-benzoylamino)-nicotinic acid ...)
Show SMILES OC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1
Show InChI InChI=1S/C27H22N2O5/c30-26(29-25-12-11-21(16-28-25)27(31)32)22-13-23(33-17-19-7-3-1-4-8-19)15-24(14-22)34-18-20-9-5-2-6-10-20/h1-16H,17-18H2,(H,31,32)(H,28,29,30)
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n/an/an/an/a 400n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165031
PNG
(6-({3-isopropoxy-5-[2-(3-thienyl)ethoxy]benzoyl}am...)
Show SMILES CC(C)Oc1cc(OCCc2ccsc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C22H22N2O5S/c1-14(2)29-19-10-17(9-18(11-19)28-7-5-15-6-8-30-13-15)21(25)24-20-4-3-16(12-23-20)22(26)27/h3-4,6,8-14H,5,7H2,1-2H3,(H,26,27)(H,23,24,25)
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n/an/an/an/a 90n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165032
PNG
(6-(2-Benzyloxy-5-methylsulfanyl-phenylcarbamoyl)-n...)
Show SMILES CSc1ccc(OCc2ccccc2)c(NC(=O)c2ccc(cn2)C(O)=O)c1
Show InChI InChI=1S/C21H18N2O4S/c1-28-16-8-10-19(27-13-14-5-3-2-4-6-14)18(11-16)23-20(24)17-9-7-15(12-22-17)21(25)26/h2-12H,13H2,1H3,(H,23,24)(H,25,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165034
PNG
(6-[3-Isopropoxy-5-(2-pyridin-4-yl-ethoxy)-benzoyla...)
Show SMILES CC(C)Oc1cc(OCCc2ccncc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-15(2)31-20-12-18(22(27)26-21-4-3-17(14-25-21)23(28)29)11-19(13-20)30-10-7-16-5-8-24-9-6-16/h3-6,8-9,11-15H,7,10H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/an/an/a 1.78E+3n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165033
PNG
(6-[2,3-Bis-(2-chloro-benzyloxy)-benzoylamino]-nico...)
Show SMILES OC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2OCc2ccccc2Cl)nc1
Show InChI InChI=1S/C27H20Cl2N2O5/c28-21-9-3-1-6-18(21)15-35-23-11-5-8-20(25(23)36-16-19-7-2-4-10-22(19)29)26(32)31-24-13-12-17(14-30-24)27(33)34/h1-14H,15-16H2,(H,33,34)(H,30,31,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165035
PNG
(6-[3-(2-Fluoro-benzyloxy)-5-isopropoxy-benzoylamin...)
Show SMILES CC(C)Oc1cc(OCc2ccccc2F)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C23H21FN2O5/c1-14(2)31-19-10-17(22(27)26-21-8-7-15(12-25-21)23(28)29)9-18(11-19)30-13-16-5-3-4-6-20(16)24/h3-12,14H,13H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/an/an/a 100n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165037
PNG
(6-(3-Isobutoxy-5-isopropoxy-benzoylamino)-nicotini...)
Show SMILES CC(C)COc1cc(OC(C)C)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C20H24N2O5/c1-12(2)11-26-16-7-15(8-17(9-16)27-13(3)4)19(23)22-18-6-5-14(10-21-18)20(24)25/h5-10,12-13H,11H2,1-4H3,(H,24,25)(H,21,22,23)
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n/an/an/an/a 570n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165036
PNG
(6-(3,5-Bis-benzyloxy-phenylcarbamoyl)-nicotinic ac...)
Show SMILES OC(=O)c1ccc(nc1)C(=O)Nc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
Show InChI InChI=1S/C27H22N2O5/c30-26(25-12-11-21(16-28-25)27(31)32)29-22-13-23(33-17-19-7-3-1-4-8-19)15-24(14-22)34-18-20-9-5-2-6-10-20/h1-16H,17-18H2,(H,29,30)(H,31,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165038
PNG
(6-(3,5-Bis-benzyloxy-benzyloxy)-nicotinic acid | C...)
Show SMILES OC(=O)c1ccc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1
Show InChI InChI=1S/C27H23NO5/c29-27(30)23-11-12-26(28-16-23)33-19-22-13-24(31-17-20-7-3-1-4-8-20)15-25(14-22)32-18-21-9-5-2-6-10-21/h1-16H,17-19H2,(H,29,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165040
PNG
(6-(3-Isopropoxy-5-phenethyloxy-benzoylamino)-nicot...)
Show SMILES CC(C)Oc1cc(OCCc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C24H24N2O5/c1-16(2)31-21-13-19(23(27)26-22-9-8-18(15-25-22)24(28)29)12-20(14-21)30-11-10-17-6-4-3-5-7-17/h3-9,12-16H,10-11H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/an/an/a 130n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50165039
PNG
(6-[3-(2-Chloro-benzyloxy)-benzoylamino]-nicotinic ...)
Show SMILES OC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)nc1
Show InChI InChI=1S/C20H15ClN2O4/c21-17-7-2-1-4-15(17)12-27-16-6-3-5-13(10-16)19(24)23-18-9-8-14(11-22-18)20(25)26/h1-11H,12H2,(H,25,26)(H,22,23,24)
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n/an/an/an/a 910n/an/an/an/a



AstraZeneca UK

Curated by ChEMBL


Assay Description
Potency in Glucokinase activation assay

Bioorg Med Chem Lett 15: 2103-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.087
BindingDB Entry DOI: 10.7270/Q28S4PFN
More data for this
Ligand-Target Pair
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