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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50009523   
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))
BDBM50084713
PNG
(CHEMBL331551 | N-[5-Amino-6-(6-hydroxy-1-pyridin-3...)
Show SMILES N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)CNC1CCc2cc(O)ccc2C1Cc1cccnc1
Show InChI InChI=1S/C28H35FN4O3S/c29-26-8-1-2-9-28(26)37(35,36)33-15-4-3-7-22(30)19-32-27-13-10-21-17-23(34)11-12-24(21)25(27)16-20-6-5-14-31-18-20/h1-2,5-6,8-9,11-12,14,17-18,22,25,27,32-34H,3-4,7,10,13,15-16,19,30H2/t22-,25?,27?/m0/s1
KEGG

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n/an/a 1n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,148-,149-,150-/m0/s1
KEGG

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n/an/a 3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084693
PNG
(2-(3-Benzenesulfonylamino-pyrrolidin-1-yl)-N-(6-fl...)
Show SMILES Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CC[C@@H](C1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H31FN4O3S/c29-22-9-10-25-21(16-22)8-11-27(26(25)15-20-5-4-13-30-17-20)31-28(34)19-33-14-12-23(18-33)32-37(35,36)24-6-2-1-3-7-24/h1-7,9-10,13,16-17,23,26-27,32H,8,11-12,14-15,18-19H2,(H,31,34)/t23-,26?,27?/m0/s1
KEGG

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n/an/a 5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084712
PNG
(CHEMBL115896 | N-{4-[(1-Allyl-6-hydroxy-1,2,3,4-te...)
Show SMILES Oc1ccc2C(CC=C)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wD:19.21,(-2.77,-9.57,;-1.43,-8.84,;-1.43,-7.3,;-.09,-6.53,;1.23,-7.3,;2.57,-6.5,;2.57,-4.97,;1.26,-4.2,;1.26,-2.66,;3.91,-7.3,;3.91,-8.84,;2.6,-9.6,;1.23,-8.84,;-.09,-9.6,;5.22,-6.53,;5.25,-5,;6.6,-4.23,;6.6,-2.66,;7.94,-1.9,;9.28,-2.66,;10.59,-1.9,;11.94,-2.66,;13.44,-2.57,;14.97,-2.5,;13.38,-1.03,;13.54,-4.1,;14.91,-4.77,;15.04,-6.31,;13.76,-7.17,;12.38,-6.5,;12.26,-4.97,;9.28,-4.23,;7.94,-5,)|
Show InChI InChI=1S/C27H36N2O3S/c1-2-6-26-25-15-14-23(30)17-22(25)13-16-27(26)28-18-20-9-11-21(12-10-20)19-29-33(31,32)24-7-4-3-5-8-24/h2-5,7-8,14-15,17,20-21,26-30H,1,6,9-13,16,18-19H2/t20?,21-,26?,27?
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n/an/a 5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084699
PNG
(2-Fluoro-N-{4-[(6-hydroxy-1-pyridin-3-ylmethyl-1,2...)
Show SMILES Oc1ccc2C(Cc3cccnc3)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 |wD:23.26,(1.62,-9.72,;2.94,-8.96,;2.94,-7.46,;4.28,-6.67,;5.59,-7.43,;6.95,-6.66,;6.95,-5.13,;5.62,-4.36,;4.28,-5.14,;2.94,-4.36,;2.94,-2.84,;4.3,-2.07,;5.62,-2.84,;8.28,-7.43,;8.28,-8.98,;6.96,-9.75,;5.59,-8.98,;4.28,-9.75,;9.59,-6.67,;9.6,-5.14,;10.94,-4.38,;10.94,-2.84,;12.28,-2.07,;13.62,-2.84,;14.94,-2.07,;16.26,-2.84,;17.78,-2.74,;19.31,-2.66,;17.69,-1.21,;17.87,-4.27,;16.6,-5.11,;16.71,-6.66,;18.1,-7.33,;19.35,-6.47,;19.24,-4.94,;20.55,-4.17,;13.62,-4.38,;12.3,-5.14,)|
Show InChI InChI=1S/C30H36FN3O3S/c31-28-5-1-2-6-30(28)38(36,37)34-20-22-9-7-21(8-10-22)19-33-29-14-11-24-17-25(35)12-13-26(24)27(29)16-23-4-3-15-32-18-23/h1-6,12-13,15,17-18,21-22,27,29,33-35H,7-11,14,16,19-20H2/t21?,22-,27?,29?
KEGG

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n/an/a 7n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084701
PNG
(2-(4-Benzenesulfonylamino-piperidin-1-yl)-N-(6-flu...)
Show SMILES Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(CC1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H33FN4O3S/c30-23-9-10-26-22(18-23)8-11-28(27(26)17-21-5-4-14-31-19-21)32-29(35)20-34-15-12-24(13-16-34)33-38(36,37)25-6-2-1-3-7-25/h1-7,9-10,14,18-19,24,27-28,33H,8,11-13,15-17,20H2,(H,32,35)
KEGG

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n/an/a 10n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084698
PNG
(CHEMBL265104 | N-{4-[(6-Methoxy-1-pyridin-3-ylmeth...)
Show SMILES COc1ccc2C(Cc3cccnc3)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wD:24.27,(6.45,-11.93,;6.49,-10.39,;7.83,-9.64,;7.83,-8.12,;9.16,-7.36,;10.5,-8.12,;11.84,-7.35,;11.84,-5.81,;10.51,-5.04,;9.16,-5.81,;7.83,-5.04,;7.83,-3.48,;9.19,-2.72,;10.51,-3.48,;13.19,-8.12,;13.19,-9.64,;11.86,-10.42,;10.5,-9.64,;9.16,-10.42,;14.51,-7.36,;14.51,-5.81,;15.86,-5.04,;15.86,-3.49,;17.2,-2.72,;18.54,-3.49,;19.89,-2.74,;21.2,-3.49,;22.73,-3.39,;24.27,-3.32,;22.63,-1.87,;22.82,-4.94,;21.53,-5.78,;21.65,-7.32,;23.05,-8,;24.3,-7.15,;24.2,-5.62,;18.54,-5.04,;17.24,-5.81,)|
Show InChI InChI=1S/C31H39N3O3S/c1-37-27-14-15-29-26(19-27)13-16-31(30(29)18-25-6-5-17-32-20-25)33-21-23-9-11-24(12-10-23)22-34-38(35,36)28-7-3-2-4-8-28/h2-8,14-15,17,19-20,23-24,30-31,33-34H,9-13,16,18,21-22H2,1H3/t23?,24-,30?,31?
KEGG

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n/an/a 10n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084707
PNG
(4-[(2-Fluoro-benzenesulfonylamino)-methyl]-cyclohe...)
Show SMILES COc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)C1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 |wD:25.28,(-.35,-8.39,;.97,-9.19,;2.3,-8.42,;2.3,-6.89,;3.65,-6.12,;4.97,-6.89,;6.31,-6.12,;6.31,-4.59,;4.99,-3.82,;3.65,-4.59,;2.3,-3.82,;2.3,-2.25,;3.68,-1.48,;4.99,-2.25,;7.66,-6.89,;7.66,-8.42,;6.33,-9.19,;4.97,-8.42,;3.65,-9.19,;8.99,-6.12,;8.99,-4.59,;7.66,-3.82,;10.33,-3.82,;10.33,-2.28,;11.68,-1.48,;13.02,-2.28,;14.36,-1.51,;15.68,-2.28,;17.21,-2.19,;17.11,-.65,;18.75,-2.09,;17.31,-3.72,;16.01,-4.55,;16.12,-6.09,;17.51,-6.79,;18.78,-5.93,;18.66,-4.39,;19.99,-3.59,;13.02,-3.82,;11.71,-4.59,)|
Show InChI InChI=1S/C31H36FN3O4S/c1-39-25-13-14-26-24(18-25)12-15-29(27(26)17-22-5-4-16-33-19-22)35-31(36)23-10-8-21(9-11-23)20-34-40(37,38)30-7-3-2-6-28(30)32/h2-7,13-14,16,18-19,21,23,27,29,34H,8-12,15,17,20H2,1H3,(H,35,36)/t21-,23?,27?,29?
KEGG

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n/an/a 11n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084700
PNG
(4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxy...)
Show SMILES COc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)C1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wD:25.28,(5.13,-14.75,;5.16,-13.23,;6.53,-12.47,;6.53,-10.96,;7.86,-10.17,;9.18,-10.92,;10.54,-10.17,;10.54,-8.64,;9.22,-7.86,;7.86,-8.64,;6.53,-7.86,;6.53,-6.32,;7.89,-5.55,;9.22,-6.32,;11.88,-10.92,;11.88,-12.47,;10.56,-13.26,;9.18,-12.47,;7.86,-13.26,;13.2,-10.17,;13.21,-8.64,;11.88,-7.86,;14.56,-7.86,;14.56,-6.32,;15.9,-5.55,;17.23,-6.32,;18.55,-5.57,;19.89,-6.32,;21.41,-6.22,;21.32,-4.7,;22.93,-6.13,;21.5,-7.77,;22.86,-8.44,;22.99,-9.98,;21.73,-10.83,;20.34,-10.15,;20.23,-8.61,;17.23,-7.86,;15.91,-8.64,)|
Show InChI InChI=1S/C31H37N3O4S/c1-38-26-14-15-28-25(19-26)13-16-30(29(28)18-23-6-5-17-32-20-23)34-31(35)24-11-9-22(10-12-24)21-33-39(36,37)27-7-3-2-4-8-27/h2-8,14-15,17,19-20,22,24,29-30,33H,9-13,16,18,21H2,1H3,(H,34,35)/t22-,24?,29?,30?
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n/an/a 11n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084704
PNG
(2-(3-Benzenesulfonylamino-pyrrolidin-1-yl)-N-(6-fl...)
Show SMILES Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(C1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H31FN4O3S/c29-22-9-10-25-21(16-22)8-11-27(26(25)15-20-5-4-13-30-17-20)31-28(34)19-33-14-12-23(18-33)32-37(35,36)24-6-2-1-3-7-24/h1-7,9-10,13,16-17,23,26-27,32H,8,11-12,14-15,18-19H2,(H,31,34)
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n/an/a 11n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084703
PNG
(4-[(2-Fluoro-benzenesulfonylamino)-methyl]-cyclohe...)
Show SMILES Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)C1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 |wD:24.27,(2.62,-9.21,;3.93,-8.47,;3.93,-6.94,;5.26,-6.18,;6.6,-6.94,;7.94,-6.15,;7.94,-4.63,;6.6,-3.86,;5.26,-4.65,;3.93,-3.86,;3.93,-2.32,;5.3,-1.56,;6.6,-2.32,;9.27,-6.94,;9.27,-8.47,;7.94,-9.23,;6.6,-8.47,;5.26,-9.23,;10.58,-6.18,;10.58,-4.65,;9.27,-3.88,;11.92,-3.88,;11.92,-2.33,;13.25,-1.56,;14.59,-2.33,;15.93,-1.57,;17.23,-2.33,;18.76,-2.24,;18.67,-.71,;20.29,-2.16,;18.86,-3.77,;17.58,-4.62,;17.68,-6.14,;19.08,-6.82,;20.32,-5.96,;20.23,-4.44,;21.53,-3.66,;14.59,-3.88,;13.29,-4.65,)|
Show InChI InChI=1S/C30H33F2N3O3S/c31-24-12-13-25-23(17-24)11-14-28(26(25)16-21-4-3-15-33-18-21)35-30(36)22-9-7-20(8-10-22)19-34-39(37,38)29-6-2-1-5-27(29)32/h1-6,12-13,15,17-18,20,22,26,28,34H,7-11,14,16,19H2,(H,35,36)/t20-,22?,26?,28?
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n/an/a 12n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084709
PNG
(2-Fluoro-N-{4-[(6-fluoro-1-pyridin-3-ylmethyl-1,2,...)
Show SMILES Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 |wD:23.26,(6.13,-15.08,;7.46,-14.34,;7.46,-12.81,;8.79,-12.04,;10.11,-12.81,;11.45,-12.02,;11.45,-10.49,;10.13,-9.73,;8.79,-10.51,;7.46,-9.73,;7.46,-8.19,;8.83,-7.42,;10.13,-8.19,;12.79,-12.81,;12.79,-14.34,;11.47,-15.1,;10.11,-14.34,;8.79,-15.1,;14.11,-12.04,;14.11,-10.51,;15.45,-9.75,;15.45,-8.2,;16.79,-7.42,;18.13,-8.2,;19.47,-7.43,;20.77,-8.2,;22.3,-8.1,;23.83,-8.03,;22.21,-6.57,;22.4,-9.63,;21.1,-10.48,;21.22,-12.01,;22.6,-12.69,;23.86,-11.83,;23.75,-10.3,;25.07,-9.53,;18.13,-9.75,;16.82,-10.51,)|
Show InChI InChI=1S/C30H35F2N3O2S/c31-25-12-13-26-24(17-25)11-14-29(27(26)16-23-4-3-15-33-18-23)34-19-21-7-9-22(10-8-21)20-35-38(36,37)30-6-2-1-5-28(30)32/h1-6,12-13,15,17-18,21-22,27,29,34-35H,7-11,14,16,19-20H2/t21?,22-,27?,29?
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n/an/a 19n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084694
PNG
(CHEMBL118621 | N-{4-[(1-Allyl-6-fluoro-1,2,3,4-tet...)
Show SMILES Fc1ccc2C(CC=C)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wD:19.21,(6.76,-15.13,;8.1,-14.4,;8.1,-12.86,;9.44,-12.1,;10.75,-12.86,;12.1,-12.06,;12.1,-10.53,;10.78,-9.76,;10.78,-8.23,;13.44,-12.86,;13.44,-14.4,;12.13,-15.16,;10.75,-14.4,;9.44,-15.16,;14.75,-12.1,;14.78,-10.56,;16.12,-9.79,;16.12,-8.23,;17.47,-7.46,;18.81,-8.23,;20.12,-7.46,;21.46,-8.23,;22.97,-8.13,;24.5,-8.07,;22.9,-6.6,;23.06,-9.67,;24.44,-10.34,;24.56,-11.87,;23.29,-12.74,;21.91,-12.06,;21.78,-10.53,;18.81,-9.79,;17.47,-10.56,)|
Show InChI InChI=1S/C27H35FN2O2S/c1-2-6-26-25-15-14-23(28)17-22(25)13-16-27(26)29-18-20-9-11-21(12-10-20)19-30-33(31,32)24-7-4-3-5-8-24/h2-5,7-8,14-15,17,20-21,26-27,29-30H,1,6,9-13,16,18-19H2/t20?,21-,26?,27?
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n/an/a 21n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084692
PNG
(2-Amino-6-(2-fluoro-benzenesulfonylamino)-hexanoic...)
Show SMILES N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1
Show InChI InChI=1S/C28H32F2N4O3S/c29-21-11-12-22-20(17-21)10-13-26(23(22)16-19-6-5-14-32-18-19)34-28(35)25(31)8-3-4-15-33-38(36,37)27-9-2-1-7-24(27)30/h1-2,5-7,9,11-12,14,17-18,23,25-26,33H,3-4,8,10,13,15-16,31H2,(H,34,35)/t23?,25-,26?/m0/s1
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n/an/a 22n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084695
PNG
(2-Fluoro-N-{4-[(6-methoxy-1-pyridin-3-ylmethyl-1,2...)
Show SMILES COc1ccc2C(Cc3cccnc3)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 |wD:24.27,(5.48,-14.31,;6.8,-15.08,;8.12,-14.34,;8.12,-12.81,;9.46,-12.04,;10.78,-12.81,;12.12,-12.02,;12.12,-10.49,;10.8,-9.73,;9.46,-10.51,;8.12,-9.73,;8.12,-8.19,;9.49,-7.42,;10.8,-8.19,;13.46,-12.81,;13.46,-14.34,;12.14,-15.1,;10.78,-14.34,;9.46,-15.1,;14.78,-12.04,;14.78,-10.51,;16.12,-9.75,;16.12,-8.2,;17.46,-7.42,;18.8,-8.2,;20.14,-7.43,;21.44,-8.2,;22.97,-8.1,;24.5,-8.03,;22.88,-6.57,;23.07,-9.63,;21.77,-10.48,;21.89,-12.01,;23.27,-12.69,;24.53,-11.83,;24.42,-10.3,;25.74,-9.53,;18.8,-9.75,;17.49,-10.51,)|
Show InChI InChI=1S/C31H38FN3O3S/c1-38-26-13-14-27-25(18-26)12-15-30(28(27)17-24-5-4-16-33-19-24)34-20-22-8-10-23(11-9-22)21-35-39(36,37)31-7-3-2-6-29(31)32/h2-7,13-14,16,18-19,22-23,28,30,34-35H,8-12,15,17,20-21H2,1H3/t22?,23-,28?,30?
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n/an/a 23n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084706
PNG
(2-(3-Benzenesulfonylamino-pyrrolidin-1-yl)-N-(6-fl...)
Show SMILES Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CC[C@H](C1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H31FN4O3S/c29-22-9-10-25-21(16-22)8-11-27(26(25)15-20-5-4-13-30-17-20)31-28(34)19-33-14-12-23(18-33)32-37(35,36)24-6-2-1-3-7-24/h1-7,9-10,13,16-17,23,26-27,32H,8,11-12,14-15,18-19H2,(H,31,34)/t23-,26?,27?/m1/s1
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n/an/a 27n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084710
PNG
(CHEMBL117632 | N-{4-[(6-Fluoro-1-pyridin-3-ylmethy...)
Show SMILES Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wD:23.26,(-2.38,-10.35,;-1.07,-9.6,;-1.07,-8.04,;.27,-7.29,;1.61,-8.04,;2.95,-7.28,;2.95,-5.75,;1.61,-4.97,;.27,-5.76,;-1.07,-4.97,;-1.07,-3.41,;.3,-2.66,;1.61,-3.41,;4.29,-8.04,;4.29,-9.6,;2.97,-10.36,;1.61,-9.6,;.27,-10.36,;5.63,-7.29,;5.63,-5.76,;6.96,-4.97,;6.96,-3.44,;8.3,-2.66,;9.64,-3.44,;10.98,-2.68,;12.31,-3.44,;13.84,-3.34,;15.38,-3.26,;13.74,-1.81,;13.94,-4.87,;15.29,-5.55,;15.41,-7.08,;14.15,-7.94,;12.74,-7.26,;12.64,-5.72,;9.64,-4.97,;8.34,-5.76,)|
Show InChI InChI=1S/C30H36FN3O2S/c31-26-13-14-28-25(18-26)12-15-30(29(28)17-24-5-4-16-32-19-24)33-20-22-8-10-23(11-9-22)21-34-37(35,36)27-6-2-1-3-7-27/h1-7,13-14,16,18-19,22-23,29-30,33-34H,8-12,15,17,20-21H2/t22?,23-,29?,30?
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n/an/a 27n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084705
PNG
(4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxy...)
Show SMILES Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)C1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wD:24.27,(2.36,-10.9,;3.68,-10.15,;3.68,-8.61,;5.03,-7.84,;6.36,-8.61,;7.7,-7.83,;7.7,-6.29,;6.36,-5.52,;5.03,-6.29,;3.68,-5.52,;3.68,-3.97,;5.06,-3.2,;6.36,-3.97,;9.03,-8.61,;9.03,-10.15,;7.71,-10.9,;6.36,-10.15,;5.03,-10.9,;10.38,-7.84,;10.38,-6.29,;9.03,-5.54,;11.71,-5.54,;11.71,-4,;13.06,-3.2,;14.4,-4,;15.74,-3.22,;17.06,-4,;18.59,-3.9,;18.5,-2.36,;20.12,-3.81,;18.69,-5.42,;17.4,-6.26,;17.51,-7.81,;18.89,-8.51,;20.15,-7.64,;20.05,-6.1,;14.4,-5.54,;13.09,-6.29,)|
Show InChI InChI=1S/C30H34FN3O3S/c31-25-13-14-27-24(18-25)12-15-29(28(27)17-22-5-4-16-32-19-22)34-30(35)23-10-8-21(9-11-23)20-33-38(36,37)26-6-2-1-3-7-26/h1-7,13-14,16,18-19,21,23,28-29,33H,8-12,15,17,20H2,(H,34,35)/t21-,23?,28?,29?
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n/an/a 40n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084697
PNG
(CHEMBL118931 | N-[6-(6-Methoxy-1-pyridin-3-ylmethy...)
Show SMILES COc1ccc2C(Cc3cccnc3)C(CCc2c1)NCCCCCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H37N3O3S/c1-35-25-14-15-27-24(21-25)13-16-29(28(27)20-23-10-9-17-30-22-23)31-18-7-2-3-8-19-32-36(33,34)26-11-5-4-6-12-26/h4-6,9-12,14-15,17,21-22,28-29,31-32H,2-3,7-8,13,16,18-20H2,1H3
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n/an/a 53n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084702
PNG
(4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxy...)
Show SMILES Fc1ccc2C(CC=C)C(CCc2c1)NC(=O)C1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wD:20.22,(1.32,-9.91,;2.66,-9.17,;2.66,-7.63,;4,-6.86,;5.33,-7.63,;6.67,-6.83,;6.67,-5.29,;5.35,-4.53,;5.35,-2.99,;8.02,-7.63,;8.02,-9.17,;6.69,-9.94,;5.33,-9.17,;4,-9.94,;9.33,-6.86,;9.35,-5.33,;8.02,-4.56,;10.69,-4.56,;10.69,-2.99,;12.04,-2.22,;13.38,-2.99,;14.71,-2.22,;16.04,-2.99,;17.56,-2.89,;17.48,-1.36,;19.1,-2.83,;17.65,-4.43,;16.37,-5.29,;16.49,-6.83,;17.88,-7.5,;19.15,-6.64,;19.03,-5.1,;13.38,-4.56,;12.05,-5.33,)|
Show InChI InChI=1S/C27H33FN2O3S/c1-2-6-25-24-15-14-22(28)17-21(24)13-16-26(25)30-27(31)20-11-9-19(10-12-20)18-29-34(32,33)23-7-4-3-5-8-23/h2-5,7-8,14-15,17,19-20,25-26,29H,1,6,9-13,16,18H2,(H,30,31)/t19-,20?,25?,26?
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n/an/a 75n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084708
PNG
(CHEMBL323892 | Naphthalene-2-sulfonic acid {4-[(6-...)
Show SMILES COc1ccc2C(Cc3cccnc3)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1 |wD:24.27,(3.47,-13.64,;4.79,-14.42,;6.13,-13.68,;6.16,-12.12,;7.5,-11.38,;8.81,-12.16,;10.15,-11.39,;10.18,-9.85,;8.87,-9.02,;7.52,-9.72,;6.22,-8.9,;6.28,-7.34,;7.66,-6.64,;8.97,-7.47,;11.51,-12.19,;11.48,-13.75,;10.12,-14.5,;8.81,-13.71,;7.47,-14.47,;12.86,-11.46,;14.16,-12.25,;15.52,-11.49,;15.56,-9.95,;16.9,-9.19,;18.21,-9.99,;19.57,-9.24,;20.88,-10.04,;22.42,-10.04,;22.01,-8.55,;23.95,-10.04,;23.19,-11.38,;22.39,-12.7,;23.15,-14.03,;24.68,-14.03,;25.45,-15.34,;26.98,-15.34,;27.75,-14.01,;26.98,-12.7,;25.45,-12.7,;24.71,-11.38,;18.18,-11.54,;16.84,-12.28,)|
Show InChI InChI=1S/C35H41N3O3S/c1-41-31-14-16-33-30(20-31)13-17-35(34(33)19-27-5-4-18-36-22-27)37-23-25-8-10-26(11-9-25)24-38-42(39,40)32-15-12-28-6-2-3-7-29(28)21-32/h2-7,12,14-16,18,20-22,25-26,34-35,37-38H,8-11,13,17,19,23-24H2,1H3/t25?,26-,34?,35?
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n/an/a 337n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084696
PNG
(CHEMBL264719 | Naphthalene-2-sulfonic acid {4-[(1-...)
Show SMILES COc1ccc2C(Cc3ccccc3)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1 |wD:24.27,(3.57,-13.67,;4.89,-14.46,;6.23,-13.7,;6.26,-12.17,;7.61,-11.4,;8.93,-12.2,;10.27,-11.43,;10.27,-9.89,;8.98,-9.04,;9.05,-7.5,;7.77,-6.67,;6.38,-7.38,;6.3,-8.93,;7.61,-9.75,;11.59,-12.23,;11.59,-13.79,;10.21,-14.54,;8.89,-13.74,;7.55,-14.51,;12.96,-11.49,;14.27,-12.28,;15.62,-11.52,;15.65,-9.97,;17,-9.21,;18.31,-10.02,;19.67,-9.27,;20.98,-10.08,;22.52,-10.08,;22.13,-8.57,;24.06,-10.08,;23.29,-11.4,;22.51,-12.73,;23.26,-14.06,;24.8,-14.06,;25.57,-15.37,;27.11,-15.37,;27.85,-14.05,;27.08,-12.73,;25.57,-12.73,;24.8,-11.4,;18.28,-11.56,;16.93,-12.33,)|
Show InChI InChI=1S/C36H42N2O3S/c1-41-32-17-19-34-31(22-32)16-20-36(35(34)21-26-7-3-2-4-8-26)37-24-27-11-13-28(14-12-27)25-38-42(39,40)33-18-15-29-9-5-6-10-30(29)23-33/h2-10,15,17-19,22-23,27-28,35-38H,11-14,16,20-21,24-25H2,1H3/t27?,28-,35?,36?
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
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PubMed
n/an/a 443n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50084711
PNG
((1-Benzyl-6-methoxy-1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES COc1ccc2C(Cc3ccccc3)C(CCc2c1)NCCc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H33NO3/c1-30-23-11-12-24-22(19-23)10-13-26(25(24)17-20-7-5-4-6-8-20)29-16-15-21-9-14-27(31-2)28(18-21)32-3/h4-9,11-12,14,18-19,25-26,29H,10,13,15-17H2,1-3H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 900n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.


J Med Chem 43: 346-50 (2000)


BindingDB Entry DOI: 10.7270/Q2XK8DS5
More data for this
Ligand-Target Pair