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Compile Data Set for Download or QSAR

Found 268 hits with Last Name = 'buehlmayer' and Initial = 'p'   
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
Tyrosine-protein kinase SYK [2-635]


(Homo sapiens (Human))		BDBM222932
PNG
(US9315500, 2.2)
Show SMILES Cn1ccc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cccc12
Show InChI InChI=1S/C22H25N7O/c1-29-10-9-14-16(7-4-8-18(14)29)26-21-20-13(12-24-28-22(20)30)11-19(27-21)25-17-6-3-2-5-15(17)23/h4,7-12,15,17H,2-3,5-6,23H2,1H3,(H,28,30)(H2,25,26,27)/t15-,17+/m0/s1
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n/an/a 0.600n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145270
PNG
(CHEMBL81994 | {4-[(9-Fluoro-5,6-dihydro-4H-3-thia-...)
Show SMILES Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)C4CCOC4)nc3-c2c1
Show InChI InChI=1S/C23H28FN3O2S/c24-18-5-4-16-2-1-3-20-21(19(16)12-18)26-23(30-20)25-13-15-6-9-27(10-7-15)22(28)17-8-11-29-14-17/h4-5,12,15,17H,1-3,6-11,13-14H2,(H,25,26)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [2-635]


(Homo sapiens (Human))		BDBM222933
PNG
(US9315500, 2.3)
Show SMILES Cn1cc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cccc2n1
Show InChI InChI=1S/C21H24N8O/c1-29-11-13-15(7-4-8-16(13)28-29)25-20-19-12(10-23-27-21(19)30)9-18(26-20)24-17-6-3-2-5-14(17)22/h4,7-11,14,17H,2-3,5-6,22H2,1H3,(H,27,30)(H2,24,25,26)/t14-,17+/m0/s1
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n/an/a 1.10n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [2-635]


(Homo sapiens (Human))		BDBM222934
PNG
(US9315500, 2.4)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cc(F)cc12
Show InChI InChI=1S/C22H24FN7O/c1-11-9-25-20-14(11)7-13(23)8-17(20)28-21-19-12(10-26-30-22(19)31)6-18(29-21)27-16-5-3-2-4-15(16)24/h6-10,15-16,25H,2-5,24H2,1H3,(H,30,31)(H2,27,28,29)/t15-,16+/m0/s1
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n/an/a 1.30n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [2-635]


(Homo sapiens (Human))		BDBM222931
PNG
(US9315500, 2.1)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cccc12
Show InChI InChI=1S/C22H25N7O/c1-12-10-24-20-14(12)5-4-8-17(20)27-21-19-13(11-25-29-22(19)30)9-18(28-21)26-16-7-3-2-6-15(16)23/h4-5,8-11,15-16,24H,2-3,6-7,23H2,1H3,(H,29,30)(H2,26,27,28)/t15-,16+/m0/s1
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n/an/a 1.60n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [2-635]


(Homo sapiens (Human))		BDBM222935
PNG
(US9315500, 2.5)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2ccc3ncccc3c2)n1
Show InChI InChI=1S/C22H23N7O/c23-16-5-1-2-6-18(16)27-19-11-14-12-25-29-22(30)20(14)21(28-19)26-15-7-8-17-13(10-15)4-3-9-24-17/h3-4,7-12,16,18H,1-2,5-6,23H2,(H,29,30)(H2,26,27,28)/t16-,18+/m0/s1
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n/an/a 1.60n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [2-635]


(Homo sapiens (Human))		BDBM222952
PNG
(US9315500, 3.2)
Show SMILES N[C@H]1COCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3sccc23)n1
Show InChI InChI=1S/C20H20N6O2S/c21-13-10-28-6-4-15(13)23-17-8-11-9-22-26-20(27)18(11)19(25-17)24-14-2-1-3-16-12(14)5-7-29-16/h1-3,5,7-9,13,15H,4,6,10,21H2,(H,26,27)(H2,23,24,25)/t13-,15+/m0/s1
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n/an/a 1.80n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145282
PNG
(1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[...)
Show SMILES CC(C)C(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
Show InChI InChI=1S/C22H28FN3OS/c1-14(2)21(27)26-10-8-15(9-11-26)13-24-22-25-20-18-12-17(23)7-6-16(18)4-3-5-19(20)28-22/h6-7,12,14-15H,3-5,8-11,13H2,1-2H3,(H,24,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145277
PNG
(1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[...)
Show SMILES COCCNCC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
Show InChI InChI=1S/C23H31FN4O2S/c1-30-12-9-25-15-21(29)28-10-7-16(8-11-28)14-26-23-27-22-19-13-18(24)6-5-17(19)3-2-4-20(22)31-23/h5-6,13,16,25H,2-4,7-12,14-15H2,1H3,(H,26,27)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145279
PNG
(1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[...)
Show SMILES COCC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
Show InChI InChI=1S/C21H26FN3O2S/c1-27-13-19(26)25-9-7-14(8-10-25)12-23-21-24-20-17-11-16(22)6-5-15(17)3-2-4-18(20)28-21/h5-6,11,14H,2-4,7-10,12-13H2,1H3,(H,23,24)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145280
PNG
(CHEMBL84453 | Cyclopropyl-{4-[(9-fluoro-5,6-dihydr...)
Show SMILES Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)C4CC4)nc3-c2c1
Show InChI InChI=1S/C22H26FN3OS/c23-17-7-6-15-2-1-3-19-20(18(15)12-17)25-22(28-19)24-13-14-8-10-26(11-9-14)21(27)16-4-5-16/h6-7,12,14,16H,1-5,8-11,13H2,(H,24,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145289
PNG
(CHEMBL312362 | {4-[(9-Fluoro-5,6-dihydro-4H-3-thia...)
Show SMILES Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1
Show InChI InChI=1S/C23H28FN3O2S/c24-17-7-6-16-3-1-5-20-21(18(16)13-17)26-23(30-20)25-14-15-8-10-27(11-9-15)22(28)19-4-2-12-29-19/h6-7,13,15,19H,1-5,8-12,14H2,(H,25,26)/t19-/m1/s1
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50320214
PNG
(3-(7-amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyr...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1cccc(O)c1
Show InChI InChI=1S/C23H24N6O/c1-27-9-11-28(12-10-27)18-7-5-16(6-8-18)21-15-26-29-22(24)20(14-25-23(21)29)17-3-2-4-19(30)13-17/h2-8,13-15,30H,9-12,24H2,1H3
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Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of SRC

Bioorg Med Chem Lett 20: 3628-31 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.112
BindingDB Entry DOI: 10.7270/Q2XP754D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [2-635]


(Homo sapiens (Human))		BDBM222936
PNG
(US9315500, 2.6)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3occc23)n1
Show InChI InChI=1S/C21H22N6O2/c22-14-4-1-2-5-16(14)24-18-10-12-11-23-27-21(28)19(12)20(26-18)25-15-6-3-7-17-13(15)8-9-29-17/h3,6-11,14,16H,1-2,4-5,22H2,(H,27,28)(H2,24,25,26)/t14-,16+/m0/s1
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n/an/a 2n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [2-635]


(Homo sapiens (Human))		BDBM222953
PNG
(US9315500, 3.3)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4cn[nH]c(=O)c34)cc(F)cc12
Show InChI InChI=1S/C21H22FN7O2/c1-10-7-24-19-13(10)5-12(22)6-16(19)27-20-18-11(8-25-29-21(18)30)4-17(28-20)26-15-2-3-31-9-14(15)23/h4-8,14-15,24H,2-3,9,23H2,1H3,(H,29,30)(H2,26,27,28)/t14-,15+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145266
PNG
(1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[...)
Show SMILES COCCC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
Show InChI InChI=1S/C22H28FN3O2S/c1-28-12-9-20(27)26-10-7-15(8-11-26)14-24-22-25-21-18-13-17(23)6-5-16(18)3-2-4-19(21)29-22/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,24,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145235
PNG
(CHEMBL432169 | {4-[(9-Fluoro-5,6-dihydro-4H-3-thia...)
Show SMILES Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)[C@@H]4CCCO4)nc3-c2c1
Show InChI InChI=1S/C23H28FN3O2S/c24-17-7-6-16-3-1-5-20-21(18(16)13-17)26-23(30-20)25-14-15-8-10-27(11-9-15)22(28)19-4-2-12-29-19/h6-7,13,15,19H,1-5,8-12,14H2,(H,25,26)/t19-/m0/s1
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [2-635]


(Homo sapiens (Human))		BDBM222955
PNG
(US9315500, 1.1)
Show SMILES Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)c(F)c4cn[nH]c(=O)c34)cc(F)cc12
Show InChI InChI=1S/C22H23F2N7O/c1-10-8-26-19-12(10)6-11(23)7-16(19)29-20-17-13(9-27-31-22(17)32)18(24)21(30-20)28-15-5-3-2-4-14(15)25/h6-9,14-15,26H,2-5,25H2,1H3,(H,31,32)(H2,28,29,30)/t14-,15+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145252
PNG
(1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[...)
Show SMILES Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)CN4CCOCC4)nc3-c2c1
Show InChI InChI=1S/C24H31FN4O2S/c25-19-5-4-18-2-1-3-21-23(20(18)14-19)27-24(32-21)26-15-17-6-8-29(9-7-17)22(30)16-28-10-12-31-13-11-28/h4-5,14,17H,1-3,6-13,15-16H2,(H,26,27)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145244
PNG
(CHEMBL82158 | {4-[(9-Fluoro-5,6-dihydro-4H-3-thia-...)
Show SMILES COC(=O)N[C@H]1CC[C@H](CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1 |wU:5.4,wD:8.8,(9.81,-3.02,;9.56,-1.5,;8.11,-.97,;7.84,.55,;6.92,-1.95,;5.48,-1.41,;4.28,-2.39,;2.84,-1.87,;2.58,-.34,;1.13,.19,;-.05,-.8,;-1.49,-.28,;-2.85,-.99,;-3.96,.09,;-3.27,1.46,;-3.93,2.85,;-5.44,3.22,;-6.65,2.28,;-6.65,.74,;-8.08,.2,;-8.33,-1.32,;-7.13,-2.27,;-7.38,-3.81,;-5.72,-1.74,;-5.47,-.23,;-1.75,1.24,;3.75,.65,;5.21,.11,)|
Show InChI InChI=1S/C21H26FN3O2S/c1-27-21(26)24-16-9-5-13(6-10-16)12-23-20-25-19-17-11-15(22)8-7-14(17)3-2-4-18(19)28-20/h7-8,11,13,16H,2-6,9-10,12H2,1H3,(H,23,25)(H,24,26)/t13-,16-
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n/an/a 2n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50399042
PNG
(CHEMBL2178812)
Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)Nc1cccc(c1)-c1cc(C)c(C(=O)N[C@@H](CCN)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C27H30ClN3O5S/c1-15-13-24(16(2)12-22(15)28)37(35,36)31-21-7-5-6-19(14-21)20-10-17(3)25(18(4)11-20)26(32)30-23(8-9-29)27(33)34/h5-7,10-14,23,31H,8-9,29H2,1-4H3,(H,30,32)(H,33,34)/t23-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay

J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [2-635]


(Homo sapiens (Human))		BDBM222937
PNG
(US9315500, 2.7)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3sccc23)n1
Show InChI InChI=1S/C21H22N6OS/c22-14-4-1-2-5-16(14)24-18-10-12-11-23-27-21(28)19(12)20(26-18)25-15-6-3-7-17-13(15)8-9-29-17/h3,6-11,14,16H,1-2,4-5,22H2,(H,27,28)(H2,24,25,26)/t14-,16+/m0/s1
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n/an/a 2.10n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [2-635]


(Homo sapiens (Human))		BDBM222938
PNG
(US9315500, 2.8)
Show SMILES Cc1ccc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cccc2n1
Show InChI InChI=1S/C23H25N7O/c1-13-9-10-15-17(26-13)7-4-8-18(15)28-22-21-14(12-25-30-23(21)31)11-20(29-22)27-19-6-3-2-5-16(19)24/h4,7-12,16,19H,2-3,5-6,24H2,1H3,(H,30,31)(H2,27,28,29)/t16-,19+/m0/s1
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n/an/a 2.30n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50399045
PNG
(CHEMBL2178809)
Show SMILES C[C@H](NC(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C26H27ClN2O5S/c1-14-12-23(15(2)11-22(14)27)35(33,34)29-21-8-6-7-19(13-21)20-9-16(3)24(17(4)10-20)25(30)28-18(5)26(31)32/h6-13,18,29H,1-5H3,(H,28,30)(H,31,32)/t18-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay

J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [2-635]


(Homo sapiens (Human))		BDBM222939
PNG
(US9315500, 2.9)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3[nH]ccc23)n1
Show InChI InChI=1S/C21H23N7O/c22-14-4-1-2-5-17(14)25-18-10-12-11-24-28-21(29)19(12)20(27-18)26-16-7-3-6-15-13(16)8-9-23-15/h3,6-11,14,17,23H,1-2,4-5,22H2,(H,28,29)(H2,25,26,27)/t14-,17+/m0/s1
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n/an/a 2.70n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)		BDBM50145232
PNG
(CHEMBL311229 | {4-[(9-Methyl-4,5-dihydro-6-oxa-3-t...)
Show SMILES Cc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1
Show InChI InChI=1S/C23H29N3O3S/c1-15-4-5-18-17(13-15)21-20(8-12-29-18)30-23(25-21)24-14-16-6-9-26(10-7-16)22(27)19-3-2-11-28-19/h4-5,13,16,19H,2-3,6-12,14H2,1H3,(H,24,25)/t19-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against rat neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50089060
PNG
(CHEMBL273597 | Naphthalene-1-sulfonic acid [4-(4-a...)
Show SMILES Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:5.4,wD:8.8,(4.65,-3.89,;4.65,-5.44,;6,-6.2,;6,-7.77,;7.33,-8.54,;8.68,-7.77,;8.66,-6.23,;10.01,-5.46,;11.34,-6.23,;12.67,-5.48,;14,-6.25,;15.33,-7.02,;15.31,-5.48,;15.31,-8.56,;16.87,-7.02,;17.2,-5.51,;18.69,-5.07,;19.81,-6.11,;19.46,-7.61,;20.6,-8.65,;20.25,-10.15,;18.78,-10.61,;17.66,-9.56,;17.99,-8.05,;11.34,-7.77,;10.01,-8.54,;4.67,-8.54,;3.32,-7.77,;1.97,-8.56,;.64,-7.77,;.64,-6.23,;1.97,-5.46,;3.32,-6.23,)|
Show InChI InChI=1S/C25H27N5O2S/c26-24-21-9-3-4-10-22(21)29-25(30-24)28-19-14-12-17(13-15-19)16-27-33(31,32)23-11-5-7-18-6-1-2-8-20(18)23/h1-11,17,19,27H,12-16H2,(H3,26,28,29,30)/t17-,19-
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n/an/a 3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145243
PNG
(CHEMBL83830 | N,N-dimethyl-N'-({4-[(19-Fluoro-2-me...)
Show SMILES CN(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccc(F)cc-23)s1 |wU:11.14,wD:8.7,(18.84,-5.25,;17.4,-4.72,;17.13,-3.19,;16.22,-5.71,;15.23,-4.53,;17.2,-6.89,;15.04,-6.7,;13.59,-6.17,;12.4,-7.17,;10.95,-6.64,;9.77,-7.62,;10.03,-9.14,;11.48,-9.67,;12.67,-8.67,;8.84,-10.14,;7.4,-9.61,;6.03,-10.33,;4.93,-9.24,;5.61,-7.85,;4.95,-6.47,;3.45,-6.1,;2.23,-7.03,;2.23,-8.58,;.8,-9.13,;.55,-10.64,;1.74,-11.62,;1.51,-13.15,;3.17,-11.06,;3.4,-9.56,;7.13,-8.09,)|
Show InChI InChI=1S/C20H27FN4O2S3/c1-25(2)30(26,27)22-12-13-3-6-15(7-4-13)23-20-24-19-16-11-14(21)5-8-17(16)28-10-9-18(19)29-20/h5,8,11,13,15,22H,3-4,6-7,9-10,12H2,1-2H3,(H,23,24)/t13-,15-
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n/an/a 3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145272
PNG
(2-(Cyclopropylmethyl-methyl-amino)-1-{4-[(9-fluoro...)
Show SMILES CN(CC1CC1)CC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
Show InChI InChI=1S/C25H33FN4OS/c1-29(15-18-5-6-18)16-23(31)30-11-9-17(10-12-30)14-27-25-28-24-21-13-20(26)8-7-19(21)3-2-4-22(24)32-25/h7-8,13,17-18H,2-6,9-12,14-16H2,1H3,(H,27,28)
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n/an/a 3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145256
PNG
(1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[...)
Show SMILES COC[C@@H]1CCCN1CC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
Show InChI InChI=1S/C26H35FN4O2S/c1-33-17-21-5-3-11-31(21)16-24(32)30-12-9-18(10-13-30)15-28-26-29-25-22-14-20(27)8-7-19(22)4-2-6-23(25)34-26/h7-8,14,18,21H,2-6,9-13,15-17H2,1H3,(H,28,29)/t21-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM50399039
PNG
(CHEMBL2178814)
Show SMILES CN(C)CC[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-18-16-27(19(2)15-25(18)31)40(38,39)32-24-10-8-9-22(17-24)23-13-20(3)28(21(4)14-23)29(35)34(7)26(30(36)37)11-12-33(5)6/h8-10,13-17,26,32H,11-12H2,1-7H3,(H,36,37)/t26-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay

J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145267
PNG
(4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[e]a...)
Show SMILES CCOC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
Show InChI InChI=1S/C21H26FN3O2S/c1-2-27-21(26)25-10-8-14(9-11-25)13-23-20-24-19-17-12-16(22)7-6-15(17)4-3-5-18(19)28-20/h6-7,12,14H,2-5,8-11,13H2,1H3,(H,23,24)
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n/an/a 4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145241
PNG
((R)-5-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-be...)
Show SMILES Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCC(=O)O4)nc3-c2c1
Show InChI InChI=1S/C23H26FN3O3S/c24-16-5-4-15-2-1-3-19-21(17(15)12-16)26-23(31-19)25-13-14-8-10-27(11-9-14)22(29)18-6-7-20(28)30-18/h4-5,12,14,18H,1-3,6-11,13H2,(H,25,26)/t18-/m1/s1
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50320225
PNG
(CHEMBL1085316 | N-(4-(7-amino-3-(3-(4-methylpipera...)
Show SMILES CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)CCC2CCCC2)cc1
Show InChI InChI=1S/C31H37N7O/c1-36-15-17-37(18-16-36)26-8-4-7-24(19-26)28-21-34-38-30(32)27(20-33-31(28)38)23-10-12-25(13-11-23)35-29(39)14-9-22-5-2-3-6-22/h4,7-8,10-13,19-22H,2-3,5-6,9,14-18,32H2,1H3,(H,35,39)
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n/an/a 4n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of LCK

Bioorg Med Chem Lett 20: 3628-31 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.112
BindingDB Entry DOI: 10.7270/Q2XP754D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145259
PNG
(2-Dimethylamino-1-{4-[(9-fluoro-5,6-dihydro-4H-3-t...)
Show SMILES CN(C)CC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
Show InChI InChI=1S/C22H29FN4OS/c1-26(2)14-20(28)27-10-8-15(9-11-27)13-24-22-25-21-18-12-17(23)7-6-16(18)4-3-5-19(21)29-22/h6-7,12,15H,3-5,8-11,13-14H2,1-2H3,(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50320205
PNG
(CHEMBL1083001 | N-(4-(7-amino-3-(4-(4-methylpipera...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)CCC2CCCC2)cc1
Show InChI InChI=1S/C31H37N7O/c1-36-16-18-37(19-17-36)26-13-9-24(10-14-26)28-21-34-38-30(32)27(20-33-31(28)38)23-7-11-25(12-8-23)35-29(39)15-6-22-4-2-3-5-22/h7-14,20-22H,2-6,15-19,32H2,1H3,(H,35,39)
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Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of LCK

Bioorg Med Chem Lett 20: 3628-31 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.112
BindingDB Entry DOI: 10.7270/Q2XP754D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145295
PNG
(1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[...)
Show SMILES Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)CN4CCCCC4)nc3-c2c1
Show InChI InChI=1S/C25H33FN4OS/c26-20-8-7-19-5-4-6-22-24(21(19)15-20)28-25(32-22)27-16-18-9-13-30(14-10-18)23(31)17-29-11-2-1-3-12-29/h7-8,15,18H,1-6,9-14,16-17H2,(H,27,28)
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n/an/a 4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145232
PNG
(CHEMBL311229 | {4-[(9-Methyl-4,5-dihydro-6-oxa-3-t...)
Show SMILES Cc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1
Show InChI InChI=1S/C23H29N3O3S/c1-15-4-5-18-17(13-15)21-20(8-12-29-18)30-23(25-21)24-14-16-6-9-26(10-7-16)22(27)19-3-2-11-28-19/h4-5,13,16,19H,2-3,6-12,14H2,1H3,(H,24,25)/t19-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50320209
PNG
(1-(4-(7-amino-3-(4-(4-methylpiperazin-1-yl)phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C31H38N8O/c1-37-15-17-38(18-16-37)26-13-9-24(10-14-26)28-21-35-39-29(32)27(20-33-30(28)39)23-7-11-25(12-8-23)36-31(40)34-19-22-5-3-2-4-6-22/h7-14,20-22H,2-6,15-19,32H2,1H3,(H2,34,36,40)
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n/an/a 5n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of LCK

Bioorg Med Chem Lett 20: 3628-31 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.112
BindingDB Entry DOI: 10.7270/Q2XP754D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145242
PNG
(2-Methyl-1-{4-[(9-methyl-4,5-dihydro-6-oxa-3-thia-...)
Show SMILES CC(C)C(=O)N1CCC(CNc2nc-3c(CCOc4ccc(C)cc-34)s2)CC1
Show InChI InChI=1S/C22H29N3O2S/c1-14(2)21(26)25-9-6-16(7-10-25)13-23-22-24-20-17-12-15(3)4-5-18(17)27-11-8-19(20)28-22/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,23,24)
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n/an/a 5n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor measured as Ca+ response

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145293
PNG
(1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[...)
Show SMILES Fc1ccc2CCCc3sc(NC[C@H]4CC[C@@H](CC4)N4CCCC4=O)nc3-c2c1 |wU:16.19,wD:13.12,(-9.5,-6.2,;-9.26,-4.67,;-10.45,-3.7,;-10.2,-2.19,;-8.77,-1.64,;-8.77,-.1,;-7.56,.83,;-6.05,.46,;-5.39,-.93,;-3.88,-1.15,;-3.61,-2.67,;-2.17,-3.2,;-1,-2.2,;.45,-2.73,;.71,-4.26,;2.16,-4.79,;3.35,-3.81,;3.08,-2.27,;1.63,-1.74,;4.79,-4.33,;5.21,-5.81,;6.75,-5.87,;7.28,-4.42,;6.08,-3.46,;6.13,-1.92,;-4.97,-3.39,;-6.09,-2.3,;-7.59,-2.62,;-7.84,-4.12,)|
Show InChI InChI=1S/C23H28FN3OS/c24-17-9-8-16-3-1-4-20-22(19(16)13-17)26-23(29-20)25-14-15-6-10-18(11-7-15)27-12-2-5-21(27)28/h8-9,13,15,18H,1-7,10-12,14H2,(H,25,26)/t15-,18-
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n/an/a 5n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145287
PNG
(CHEMBL309685 | {4-[(9-Fluoro-4,5-dihydro-6-oxa-3-t...)
Show SMILES Fc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1
Show InChI InChI=1S/C22H26FN3O3S/c23-15-3-4-17-16(12-15)20-19(7-11-29-17)30-22(25-20)24-13-14-5-8-26(9-6-14)21(27)18-2-1-10-28-18/h3-4,12,14,18H,1-2,5-11,13H2,(H,24,25)/t18-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [2-635]


(Homo sapiens (Human))		BDBM222940
PNG
(US9315500, 2.10)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3[nH]ncc23)n1
Show InChI InChI=1S/C20H22N8O/c21-13-4-1-2-5-16(13)24-17-8-11-9-22-28-20(29)18(11)19(26-17)25-14-6-3-7-15-12(14)10-23-27-15/h3,6-10,13,16H,1-2,4-5,21H2,(H,23,27)(H,28,29)(H2,24,25,26)/t13-,16+/m0/s1
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n/an/a 5.20n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK [2-635]


(Homo sapiens (Human))		BDBM222941
PNG
(US9315500, 2.11)
Show SMILES N[C@H]1CCCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cnc3ccccc3c2)n1
Show InChI InChI=1S/C22H23N7O/c23-16-6-2-4-8-18(16)27-19-10-14-11-25-29-22(30)20(14)21(28-19)26-15-9-13-5-1-3-7-17(13)24-12-15/h1,3,5,7,9-12,16,18H,2,4,6,8,23H2,(H,29,30)(H2,26,27,28)/t16-,18+/m0/s1
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n/an/a 5.40n/an/an/an/a7.530



NOVARTIS AG

US Patent


Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...

US Patent US9315500 (2016)


BindingDB Entry DOI: 10.7270/Q2V986WN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)		BDBM50145236
PNG
(1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-ben...)
Show SMILES CCCCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1
Show InChI InChI=1S/C22H28FN3O2S/c1-2-3-4-20(27)26-10-7-15(8-11-26)14-24-22-25-21-17-13-16(23)5-6-18(17)28-12-9-19(21)29-22/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,24,25)
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n/an/a 6n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against rat neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145275
PNG
(1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[...)
Show SMILES Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)CNCC4CCCO4)nc3-c2c1
Show InChI InChI=1S/C25H33FN4O2S/c26-19-7-6-18-3-1-5-22-24(21(18)13-19)29-25(33-22)28-14-17-8-10-30(11-9-17)23(31)16-27-15-20-4-2-12-32-20/h6-7,13,17,20,27H,1-5,8-12,14-16H2,(H,28,29)
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n/an/a 6n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145283
PNG
(1-{4-[(5,6-Dihydro-4H-3-thia-1-aza-benzo[e]azulen-...)
Show SMILES O=C(CN1CCCCC1)N1CCC(CNc2nc-3c(CCCc4ccccc-34)s2)CC1
Show InChI InChI=1S/C25H34N4OS/c30-23(18-28-13-4-1-5-14-28)29-15-11-19(12-16-29)17-26-25-27-24-21-9-3-2-7-20(21)8-6-10-22(24)31-25/h2-3,7,9,19H,1,4-6,8,10-18H2,(H,26,27)
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n/an/a 6n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145297
PNG
(CHEMBL79308 | N-{4-[(9-Fluoro-5,6-dihydro-4H-3-thi...)
Show SMILES CCCN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1 |wU:9.8,wD:12.12,(12.01,-5.4,;10.97,-4.26,;11.45,-2.79,;10.42,-1.33,;10.82,.18,;9.08,-1.8,;8.03,-.78,;8.03,.72,;6.66,-1.82,;5.23,-1.29,;4.04,-2.27,;2.6,-1.74,;2.34,-.22,;.89,.32,;-.3,-.68,;-1.73,-.15,;-3.1,-.87,;-4.19,.23,;-3.52,1.58,;-4.17,2.98,;-5.66,3.35,;-6.88,2.4,;-6.89,.86,;-8.33,.32,;-8.56,-1.19,;-7.37,-2.16,;-7.6,-3.67,;-5.94,-1.61,;-5.71,-.1,;-2,1.37,;3.51,.77,;4.96,.23,)|
Show InChI InChI=1S/C25H35FN4OS/c1-3-13-30(2)16-23(31)28-20-11-7-17(8-12-20)15-27-25-29-24-21-14-19(26)10-9-18(21)5-4-6-22(24)32-25/h9-10,14,17,20H,3-8,11-13,15-16H2,1-2H3,(H,27,29)(H,28,31)/t17-,20-
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n/an/a 6n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50320224
PNG
(1-(4-(7-amino-3-(3-(4-methylpiperazin-1-yl)phenyl)...)
Show SMILES CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)NCC2CCCCC2)cc1
Show InChI InChI=1S/C31H38N8O/c1-37-14-16-38(17-15-37)26-9-5-8-24(18-26)28-21-35-39-29(32)27(20-33-30(28)39)23-10-12-25(13-11-23)36-31(40)34-19-22-6-3-2-4-7-22/h5,8-13,18,20-22H,2-4,6-7,14-17,19,32H2,1H3,(H2,34,36,40)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of LCK

Bioorg Med Chem Lett 20: 3628-31 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.112
BindingDB Entry DOI: 10.7270/Q2XP754D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))		BDBM50145238
PNG
(2-(Cyclopropylmethyl-amino)-1-{4-[(9-fluoro-5,6-di...)
Show SMILES Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)CNCC4CC4)nc3-c2c1
Show InChI InChI=1S/C24H31FN4OS/c25-19-7-6-18-2-1-3-21-23(20(18)12-19)28-24(31-21)27-14-17-8-10-29(11-9-17)22(30)15-26-13-16-4-5-16/h6-7,12,16-17,26H,1-5,8-11,13-15H2,(H,27,28)
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n/an/a 6n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human neuropeptide Y5 receptor

Bioorg Med Chem Lett 14: 2451-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.014
BindingDB Entry DOI: 10.7270/Q2WM1CV1
More data for this
Ligand-Target Pair
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