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Compile Data Set for Download or QSAR

Found 1293 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1'   
Target
(Institution)
LigandTarget
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 1


(HUMAN)
BDBM50091652
PNG
(CHEMBL269503 | PYY | PYY, rat | Peptide YY(PYY)(YP...)
Show InChI InChI=1S/C190H287N53O58/c1-92(2)74-124(166(280)216-114(27-18-66-204-187(195)196)158(272)231-131(83-107-86-203-91-209-107)171(285)230-130(81-105-41-51-111(251)52-42-105)169(283)225-125(75-93(3)4)167(281)232-132(84-143(194)254)172(286)226-127(77-95(7)8)173(287)238-150(96(9)10)180(294)239-151(101(15)247)181(295)222-117(30-21-69-207-190(201)202)156(270)218-119(55-60-142(193)253)161(275)215-116(29-20-68-206-189(199)200)159(273)234-134(186(300)301)82-106-43-53-112(252)54-44-106)227-175(289)135(88-244)235-153(267)97(11)210-164(278)128(79-103-37-47-109(249)48-38-103)229-170(284)129(80-104-39-49-110(250)50-40-104)228-157(271)115(28-19-67-205-188(197)198)217-174(288)136(89-245)236-168(282)126(76-94(5)6)224-163(277)121(58-63-147(260)261)219-162(276)122(59-64-148(262)263)221-179(293)141-34-25-73-243(141)185(299)137(90-246)237-154(268)98(12)211-165(279)133(85-149(264)265)233-160(274)118(56-61-145(256)257)214-144(255)87-208-176(290)138-31-22-70-240(138)182(296)100(14)213-155(269)120(57-62-146(258)259)220-178(292)140-33-24-72-242(140)184(298)123(26-16-17-65-191)223-152(266)99(13)212-177(291)139-32-23-71-241(139)183(297)113(192)78-102-35-45-108(248)46-36-102/h35-54,86,91-101,113-141,150-151,244-252H,16-34,55-85,87-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H,203,209)(H,208,290)(H,210,278)(H,211,279)(H,212,291)(H,213,269)(H,214,255)(H,215,275)(H,216,280)(H,217,288)(H,218,270)(H,219,276)(H,220,292)(H,221,293)(H,222,295)(H,223,266)(H,224,277)(H,225,283)(H,226,286)(H,227,289)(H,228,271)(H,229,284)(H,230,285)(H,231,272)(H,232,281)(H,233,274)(H,234,273)(H,235,267)(H,236,282)(H,237,268)(H,238,287)(H,239,294)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,300,301)(H4,195,196,204)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)/t97-,98-,99-,100-,101+,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-,139-,140-,141-,150-,151-/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y receptor Y1 in SK-N-MC cell line


J Med Chem 43: 3420-7 (2000)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
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
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n/an/a 0.0700n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y1 receptor by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301193
PNG
(6-((5-ethyl-4-(fluoromethyl)thiazol-2-ylthio)methy...)
Show SMILES CCc1sc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1CF
Show InChI InChI=1S/C23H28FN5OS2/c1-3-21-20(13-24)28-23(32-21)31-15-18-11-19(29-7-9-30-10-8-29)12-22(27-18)25-14-17-6-4-5-16(2)26-17/h4-6,11-12H,3,7-10,13-15H2,1-2H3,(H,25,27)
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n/an/a 0.130n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
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
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n/an/a 0.140n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human neuropeptide Y receptor type 1 by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301204
PNG
(6-((4,5-dimethyloxazol-2-ylthio)methyl)-N-((6-meth...)
Show SMILES Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCSCC2)oc1C
Show InChI InChI=1S/C22H27N5OS2/c1-15-5-4-6-18(24-15)13-23-21-12-20(27-7-9-29-10-8-27)11-19(26-21)14-30-22-25-16(2)17(3)28-22/h4-6,11-12H,7-10,13-14H2,1-3H3,(H,23,26)
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n/an/a 0.160n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301192
PNG
(6-((4-(fluoromethyl)-5-methylthiazol-2-ylthio)meth...)
Show SMILES Cc1sc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1CF
Show InChI InChI=1S/C22H26FN5OS2/c1-15-4-3-5-17(25-15)13-24-21-11-19(28-6-8-29-9-7-28)10-18(26-21)14-30-22-27-20(12-23)16(2)31-22/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,24,26)
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n/an/a 0.200n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
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
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n/an/a 0.220n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Displacement of [125I]Peptide YY from neuropeptide Y receptor type 1 in human SK-N-MC cells after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301209
PNG
(6-((4,5-dimethylthiazol-2-ylthio)methyl)-N-((6-met...)
Show SMILES Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)sc1C
Show InChI InChI=1S/C22H27N5OS2/c1-15-5-4-6-18(24-15)13-23-21-12-20(27-7-9-28-10-8-27)11-19(26-21)14-29-22-25-16(2)17(3)30-22/h4-6,11-12H,7-10,13-14H2,1-3H3,(H,23,26)
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n/an/a 0.270n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301203
PNG
(6-((4,5-dimethyloxazol-2-ylthio)methyl)-N-((6-fluo...)
Show SMILES Cc1nc(SCc2cc(cc(NCc3cccc(F)n3)n2)N2CCSCC2)oc1C
Show InChI InChI=1S/C21H24FN5OS2/c1-14-15(2)28-21(24-14)30-13-17-10-18(27-6-8-29-9-7-27)11-20(26-17)23-12-16-4-3-5-19(22)25-16/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,23,26)
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n/an/a 0.270n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301207
PNG
(6-((5-ethyl-4-methyloxazol-2-ylthio)methyl)-N-((6-...)
Show SMILES CCc1oc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1C
Show InChI InChI=1S/C23H29N5O2S/c1-4-21-17(3)26-23(30-21)31-15-19-12-20(28-8-10-29-11-9-28)13-22(27-19)24-14-18-7-5-6-16(2)25-18/h5-7,12-13H,4,8-11,14-15H2,1-3H3,(H,24,27)
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n/an/a 0.390n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301208
PNG
(CHEMBL566040 | N-((6-methylpyridin-2-yl)methyl)-4-...)
Show SMILES Cc1cccc(CNc2cc(cc(CSc3nc4CCCCc4o3)n2)N2CCOCC2)n1
Show InChI InChI=1S/C24H29N5O2S/c1-17-5-4-6-18(26-17)15-25-23-14-20(29-9-11-30-12-10-29)13-19(27-23)16-32-24-28-21-7-2-3-8-22(21)31-24/h4-6,13-14H,2-3,7-12,15-16H2,1H3,(H,25,27)
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n/an/a 0.460n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301210
PNG
(6-((5-(fluoromethyl)-4-methylthiazol-2-ylthio)meth...)
Show SMILES Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)sc1CF
Show InChI InChI=1S/C22H26FN5OS2/c1-15-4-3-5-17(25-15)13-24-21-11-19(28-6-8-29-9-7-28)10-18(27-21)14-30-22-26-16(2)20(12-23)31-22/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,24,27)
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n/an/a 0.560n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301202
PNG
(6-((4,5-dimethyloxazol-2-ylthio)methyl)-N-((6-meth...)
Show SMILES Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)oc1C
Show InChI InChI=1S/C22H27N5O2S/c1-15-5-4-6-18(24-15)13-23-21-12-20(27-7-9-28-10-8-27)11-19(26-21)14-30-22-25-16(2)17(3)29-22/h4-6,11-12H,7-10,13-14H2,1-3H3,(H,23,26)
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n/an/a 0.690n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
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
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n/an/a 1.20n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of neuropeptide Y1 receptor in human SK-N-MC cells after 60 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50296002
PNG
(CHEMBL564536 | isopropyl 3-chloro-5-(1-(6-(2-(5-et...)
Show SMILES CCc1sc(CCc2cc(cc(NC(C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)N2CCOCC2)nc1C
Show InChI InChI=1S/C29H38ClN5O3S/c1-6-26-20(5)32-28(39-26)8-7-23-16-25(35-9-11-37-12-10-35)17-27(33-23)31-19(4)21-13-22(30)15-24(14-21)34-29(36)38-18(2)3/h13-19H,6-12H2,1-5H3,(H,31,33)(H,34,36)
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n/an/a 1.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human recombinant NPY Y1 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding by scinitill...


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50142763
PNG
(CHEMBL50184 | [3-Chloro-5-({6-[2-(5-ethyl-4-methyl...)
Show SMILES CCc1sc(CCc2cc(cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)N2CCOCC2)nc1C
Show InChI InChI=1S/C28H36ClN5O3S/c1-5-25-19(4)31-27(38-25)7-6-22-15-24(34-8-10-36-11-9-34)16-26(32-22)30-17-20-12-21(29)14-23(13-20)33-28(35)37-18(2)3/h12-16,18H,5-11,17H2,1-4H3,(H,30,32)(H,33,35)
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n/an/a 1.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human recombinant NPY Y1 receptor in CHO/dhFr- cell membranes using [125I]-PYY


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301197
PNG
(6-((4,5-dimethyloxazol-2-ylthio)methyl)-N-((6-fluo...)
Show SMILES Cc1nc(SCc2cc(cc(NCc3cccc(F)n3)n2)N2CCOCC2)oc1C
Show InChI InChI=1S/C21H24FN5O2S/c1-14-15(2)29-21(24-14)30-13-17-10-18(27-6-8-28-9-7-27)11-20(26-17)23-12-16-4-3-5-19(22)25-16/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,23,26)
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n/an/a 1.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301206
PNG
(CHEMBL566889 | [6-(4,5-Dimethyl-oxazol-2-ylsulfany...)
Show SMILES Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCS(=O)(=O)CC2)oc1C
Show InChI InChI=1S/C22H27N5O3S2/c1-15-5-4-6-18(24-15)13-23-21-12-20(27-7-9-32(28,29)10-8-27)11-19(26-21)14-31-22-25-16(2)17(3)30-22/h4-6,11-12H,7-10,13-14H2,1-3H3,(H,23,26)
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n/an/a 1.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301200
PNG
(6-((4,5-dimethyloxazol-2-ylthio)methyl)-N-((6-(flu...)
Show SMILES Cc1nc(SCc2cc(cc(NCc3cccc(CF)n3)n2)N2CCOCC2)oc1C
Show InChI InChI=1S/C22H26FN5O2S/c1-15-16(2)30-22(25-15)31-14-19-10-20(28-6-8-29-9-7-28)11-21(27-19)24-13-18-5-3-4-17(12-23)26-18/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,24,27)
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n/an/a 1.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156313
PNG
(4-[3-(3-{2-[1-(2-Methoxy-phenyl)-piperidin-4-ylami...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2OC)c1
Show InChI InChI=1S/C32H41N5O6/c1-20-27(30(38)42-4)29(28(21(2)35-20)31(39)43-5)22-9-8-10-24(19-22)36-32(40)34-16-15-33-23-13-17-37(18-14-23)25-11-6-7-12-26(25)41-3/h6-12,19,23,27,29,33H,13-18H2,1-5H3,(H2,34,36,40)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156328
PNG
(2,6-Dimethyl-4-[3-(3-{2-[1-(2-nitro-phenyl)-piperi...)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2[N+]([O-])=O)c1)C(=[OH+])OC
Show InChI InChI=1S/C31H38N6O7/c1-19-26(29(38)43-3)28(27(20(2)34-19)30(39)44-4)21-8-7-9-23(18-21)35-31(40)33-15-14-32-22-12-16-36(17-13-22)24-10-5-6-11-25(24)37(41)42/h5-11,18,22,28,32H,12-17H2,1-4H3,(H3,33,34,35,38,39,40)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156319
PNG
(2,6-Dimethyl-4-(3-{3-[2-(1-phenyl-piperidin-4-ylam...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C31H39N5O5/c1-20-26(29(37)40-3)28(27(21(2)34-20)30(38)41-4)22-9-8-10-24(19-22)35-31(39)33-16-15-32-23-13-17-36(18-14-23)25-11-6-5-7-12-25/h5-12,19,23,26,28,32H,13-18H2,1-4H3,(H2,33,35,39)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
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
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n/an/a 2.60n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Displacement of [125I]-NPY from Y1 receptor in human MCF7 cells in presence of 1 uM BBN


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50091655
PNG
(CHEMBL438411 | [Leu31, Pro34]PYY(YPAKPEAPGEDASPEEL...)
Show InChI InChI=1S/C191H288N52O57/c1-94(2)75-125(165(277)215-116(28-18-66-204-188(195)196)158(270)231-133(85-109-88-203-93-209-109)171(283)230-132(83-107-43-53-113(251)54-44-107)169(281)224-127(77-96(5)6)167(279)232-134(86-145(194)253)172(284)225-126(76-95(3)4)166(278)226-129(79-98(9)10)173(285)238-152(103(15)247)181(293)222-124(31-21-69-207-191(201)202)185(297)242-73-24-34-142(242)178(290)218-118(30-20-68-206-190(199)200)159(271)234-136(187(299)300)84-108-45-55-114(252)56-46-108)227-175(287)137(90-244)235-154(266)99(11)210-163(275)130(81-105-39-49-111(249)50-40-105)229-170(282)131(82-106-41-51-112(250)52-42-106)228-157(269)117(29-19-67-205-189(197)198)216-174(286)138(91-245)236-168(280)128(78-97(7)8)223-162(274)121(59-63-149(259)260)217-161(273)122(60-64-150(261)262)220-180(292)144-36-26-74-243(144)186(298)139(92-246)237-155(267)100(12)211-164(276)135(87-151(263)264)233-160(272)119(57-61-147(255)256)214-146(254)89-208-176(288)140-32-22-70-239(140)182(294)102(14)213-156(268)120(58-62-148(257)258)219-179(291)143-35-25-72-241(143)184(296)123(27-16-17-65-192)221-153(265)101(13)212-177(289)141-33-23-71-240(141)183(295)115(193)80-104-37-47-110(248)48-38-104/h37-56,88,93-103,115-144,152,244-252H,16-36,57-87,89-92,192-193H2,1-15H3,(H2,194,253)(H,203,209)(H,208,288)(H,210,275)(H,211,276)(H,212,289)(H,213,268)(H,214,254)(H,215,277)(H,216,286)(H,217,273)(H,218,290)(H,219,291)(H,220,292)(H,221,265)(H,222,293)(H,223,274)(H,224,281)(H,225,284)(H,226,278)(H,227,287)(H,228,269)(H,229,282)(H,230,283)(H,231,270)(H,232,279)(H,233,272)(H,234,271)(H,235,266)(H,236,280)(H,237,267)(H,238,285)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,299,300)(H4,195,196,204)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)/t99-,100-,101-,102-,103+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,152-/m0/s1
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n/an/a 2.69n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y receptor Y1 in SK-N-MC cell line


J Med Chem 43: 3420-7 (2000)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156323
PNG
(CHEMBL189412 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2C#N)=NC#N)c1
Show InChI InChI=1S/C33H38N8O4/c1-21-28(31(42)44-3)30(29(22(2)39-21)32(43)45-4)23-9-7-10-26(18-23)40-33(38-20-35)37-15-14-36-25-12-16-41(17-13-25)27-11-6-5-8-24(27)19-34/h5-11,18,25,28,30,36H,12-17H2,1-4H3,(H2,37,38,40)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156326
PNG
(4-[3-(3-{2-[1-(2-Cyano-phenyl)-piperidin-4-ylamino...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2C#N)c1
Show InChI InChI=1S/C32H38N6O5/c1-20-27(30(39)42-3)29(28(21(2)36-20)31(40)43-4)22-9-7-10-25(18-22)37-32(41)35-15-14-34-24-12-16-38(17-13-24)26-11-6-5-8-23(26)19-33/h5-11,18,24,27,29,34H,12-17H2,1-4H3,(H2,35,37,41)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156317
PNG
(CHEMBL187925 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2SC)=NC#N)c1
Show InChI InChI=1S/C33H41N7O4S/c1-21-28(31(41)43-3)30(29(22(2)38-21)32(42)44-4)23-9-8-10-25(19-23)39-33(37-20-34)36-16-15-35-24-13-17-40(18-14-24)26-11-6-7-12-27(26)45-5/h6-12,19,24,28,30,35H,13-18H2,1-5H3,(H2,36,37,39)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50005530
PNG
(CHEMBL267633 | D-Tyr-Pro-Ser-Lys-Pro-Asp-Asn-Pro-G...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(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](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)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](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C190H287N55O57/c1-16-94(9)149(180(296)235-129(81-141(194)255)169(285)227-124(74-93(7)8)172(288)240-150(95(10)17-2)181(297)241-151(100(15)248)182(298)222-116(32-23-67-209-190(203)204)156(272)221-118(57-60-140(193)254)161(277)219-114(30-21-65-207-188(199)200)157(273)224-121(152(196)268)76-102-39-49-108(250)50-40-102)239-173(289)127(79-105-45-55-111(253)56-46-105)230-168(284)128(80-106-86-205-90-211-106)231-159(275)115(31-22-66-208-189(201)202)220-165(281)123(73-92(5)6)225-155(271)97(12)213-174(290)134(88-246)237-167(283)126(78-104-43-53-110(252)54-44-104)229-166(282)125(77-103-41-51-109(251)52-42-103)228-158(274)113(29-20-64-206-187(197)198)217-153(269)96(11)212-163(279)122(72-91(3)4)226-170(286)131(84-147(264)265)233-162(278)119(59-62-145(260)261)218-154(270)98(13)214-177(293)137-34-25-68-242(137)183(299)99(14)215-164(280)130(83-146(262)263)232-160(276)117(58-61-144(258)259)216-143(257)87-210-176(292)136-33-24-70-244(136)186(302)133(82-142(195)256)236-171(287)132(85-148(266)267)234-178(294)139-36-27-71-245(139)185(301)120(28-18-19-63-191)223-175(291)135(89-247)238-179(295)138-35-26-69-243(138)184(300)112(192)75-101-37-47-107(249)48-38-101/h37-56,86,90-100,112-139,149-151,246-253H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,256)(H2,196,268)(H,205,211)(H,210,292)(H,212,279)(H,213,290)(H,214,293)(H,215,280)(H,216,257)(H,217,269)(H,218,270)(H,219,277)(H,220,281)(H,221,272)(H,222,298)(H,223,291)(H,224,273)(H,225,271)(H,226,286)(H,227,285)(H,228,274)(H,229,282)(H,230,284)(H,231,275)(H,232,276)(H,233,278)(H,234,294)(H,235,296)(H,236,287)(H,237,283)(H,238,295)(H,239,289)(H,240,288)(H,241,297)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/t94-,95-,96-,97-,98-,99-,100+,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-,139-,149-,150-,151-/m0/s1
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n/an/a 3.07n/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Affinity against Neuropeptide Y receptor Y1 in SK-N-MC cell line


J Med Chem 43: 3420-7 (2000)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156318
PNG
(CHEMBL361273 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2C)=NC#N)c1
Show InChI InChI=1S/C33H41N7O4/c1-21-9-6-7-12-27(21)40-17-13-25(14-18-40)35-15-16-36-33(37-20-34)39-26-11-8-10-24(19-26)30-28(31(41)43-4)22(2)38-23(3)29(30)32(42)44-5/h6-12,19,25,28,30,35H,13-18H2,1-5H3,(H2,36,37,39)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156316
PNG
(CHEMBL188576 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(NC([N-]CCNC2CCN(CC2)c2ccccc2[N+]([O-])=O)=[NH+]C#N)c1)C(=[OH+])OC
Show InChI InChI=1S/C32H37N8O6/c1-20-27(30(41)45-3)29(28(21(2)37-20)31(42)46-4)22-8-7-9-24(18-22)38-32(36-19-33)35-15-14-34-23-12-16-39(17-13-23)25-10-5-6-11-26(25)40(43)44/h5-11,18,23,29,34H,12-17H2,1-4H3,(H2-,35,36,37,38,41,42)/q-1/p+1
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156331
PNG
(2,6-Dimethyl-4-(3-{3-[2-(1-o-tolyl-piperidin-4-yla...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2C)c1
Show InChI InChI=1S/C32H41N5O5/c1-20-9-6-7-12-26(20)37-17-13-24(14-18-37)33-15-16-34-32(40)36-25-11-8-10-23(19-25)29-27(30(38)41-4)21(2)35-22(3)28(29)31(39)42-5/h6-12,19,24,27,29,33H,13-18H2,1-5H3,(H2,34,36,40)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156311
PNG
(CHEMBL187620 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2OC)=NC#N)c1
Show InChI InChI=1S/C33H41N7O5/c1-21-28(31(41)44-4)30(29(22(2)38-21)32(42)45-5)23-9-8-10-25(19-23)39-33(37-20-34)36-16-15-35-24-13-17-40(18-14-24)26-11-6-7-12-27(26)43-3/h6-12,19,24,28,30,35H,13-18H2,1-5H3,(H2,36,37,39)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50109122
PNG
(4-[3-(3-{3-[4-(3-Methoxy-phenyl)-piperidin-1-yl]-p...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(OC)c2)c1
Show InChI InChI=1S/C33H42N4O6/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)25-10-6-11-26(19-25)36-33(40)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)41-3/h6-7,9-12,19-20,23,28,30H,8,13-18H2,1-5H3,(H2,34,36,40)
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n/an/a 4.20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Neuropeptide Y receptor type 1 using I-PYY as a radioligand in human neuroblastoma SK-N-MC cells


Bioorg Med Chem Lett 12: 337-40 (2002)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301198
PNG
(6-((4,5-dimethyloxazol-2-ylthio)methyl)-N-((6-(met...)
Show SMILES COCc1cccc(CNc2cc(cc(CSc3nc(C)c(C)o3)n2)N2CCOCC2)n1
Show InChI InChI=1S/C23H29N5O3S/c1-16-17(2)31-23(25-16)32-15-20-11-21(28-7-9-30-10-8-28)12-22(27-20)24-13-18-5-4-6-19(26-18)14-29-3/h4-6,11-12H,7-10,13-15H2,1-3H3,(H,24,27)
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n/an/a 4.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50142773
PNG
((3-Chloro-5-{[6-[2-(5-ethyl-4-methyl-thiazol-2-yl)...)
Show SMILES CCc1sc(CCc2cc(OC3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
Show InChI InChI=1S/C29H37ClN4O4S/c1-5-26-19(4)32-28(39-26)7-6-22-15-25(38-24-8-10-36-11-9-24)16-27(33-22)31-17-20-12-21(30)14-23(13-20)34-29(35)37-18(2)3/h12-16,18,24H,5-11,17H2,1-4H3,(H,31,33)(H,34,35)
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n/an/a 4.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human recombinant NPY Y1 receptor in CHO/dhFr- cell membranes using [125I]-PYY


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM85484
PNG
(Bombesin)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
Show InChI InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Displacement of [125I]-NPY from Y1 receptor in human MCF7 cells


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50404353
PNG
(CHEMBL2113710)
Show SMILES CC\C=C/CCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
Show InChI InChI=1S/C30H39ClN4O3S/c1-6-8-9-10-13-37-26-17-24(11-12-29-33-21(5)27(7-2)39-29)34-28(18-26)32-19-22-14-23(31)16-25(15-22)35-30(36)38-20(3)4/h8-9,14-18,20H,6-7,10-13,19H2,1-5H3,(H,32,34)(H,35,36)/b9-8-
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n/an/a 4.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human recombinant NPY Y1 receptor in CHO/dhFr- cell membranes using [125I]-PYY


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156322
PNG
(2,6-Dimethyl-4-[3-(3-{2-[1-(2-methylsulfanyl-pheny...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2SC)c1
Show InChI InChI=1S/C32H41N5O5S/c1-20-27(30(38)41-3)29(28(21(2)35-20)31(39)42-4)22-9-8-10-24(19-22)36-32(40)34-16-15-33-23-13-17-37(18-14-23)25-11-6-7-12-26(25)43-5/h6-12,19,23,27,29,33H,13-18H2,1-5H3,(H2,34,36,40)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156314
PNG
(CHEMBL364380 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2O)=NC#N)c1
Show InChI InChI=1S/C32H39N7O5/c1-20-27(30(41)43-3)29(28(21(2)37-20)31(42)44-4)22-8-7-9-24(18-22)38-32(36-19-33)35-15-14-34-23-12-16-39(17-13-23)25-10-5-6-11-26(25)40/h5-11,18,23,27,29,34,40H,12-17H2,1-4H3,(H2,35,36,38)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301196
PNG
(6-((4,5-dimethyloxazol-2-ylthio)methyl)-N-((2-fluo...)
Show SMILES Cc1nc(SCc2cc(cc(NCc3ccnc(F)c3)n2)N2CCOCC2)oc1C
Show InChI InChI=1S/C21H24FN5O2S/c1-14-15(2)29-21(25-14)30-13-17-10-18(27-5-7-28-8-6-27)11-20(26-17)24-12-16-3-4-23-19(22)9-16/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,24,26)
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n/an/a 5.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50109114
PNG
(CHEMBL113935 | dimethyl2,6-dimethyl-4-{3-nitrileim...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCCN2CCC(CC2)c2ccccc2)=NC#N)c1
Show InChI InChI=1S/C33H40N6O4/c1-22-28(31(40)42-3)30(29(23(2)37-22)32(41)43-4)26-12-8-13-27(20-26)38-33(36-21-34)35-16-9-17-39-18-14-25(15-19-39)24-10-6-5-7-11-24/h5-8,10-13,20,25,28,30H,9,14-19H2,1-4H3,(H2,35,36,38)
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n/an/a 5.40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of I-PYY binding to Nueopeptide Y1 receptor expressed in human neuroblastoma SK-N-MC cells


Bioorg Med Chem Lett 12: 337-40 (2002)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50142770
PNG
((3-Chloro-5-{[6-[2-(5-ethyl-4-methyl-thiazol-2-yl)...)
Show SMILES CCC(CC)Oc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
Show InChI InChI=1S/C29H39ClN4O3S/c1-7-24(8-2)37-25-15-22(10-11-28-32-19(6)26(9-3)38-28)33-27(16-25)31-17-20-12-21(30)14-23(13-20)34-29(35)36-18(4)5/h12-16,18,24H,7-11,17H2,1-6H3,(H,31,33)(H,34,35)
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n/an/a 5.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human recombinant NPY Y1 receptor in CHO/dhFr- cell membranes using [125I]-PYY


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156312
PNG
(4-[3-(3-{2-[1-(2-Hydroxy-phenyl)-piperidin-4-ylami...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2O)c1
Show InChI InChI=1S/C31H39N5O6/c1-19-26(29(38)41-3)28(27(20(2)34-19)30(39)42-4)21-8-7-9-23(18-21)35-31(40)33-15-14-32-22-12-16-36(17-13-22)24-10-5-6-11-25(24)37/h5-11,18,22,26,28,32,37H,12-17H2,1-4H3,(H2,33,35,40)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50142762
PNG
((3-Chloro-5-{[6-[2-(5-ethyl-4-methyl-thiazol-2-yl)...)
Show SMILES CCc1sc(CCc2cc(OCCCc3cccnc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
Show InChI InChI=1S/C32H38ClN5O3S/c1-5-29-22(4)36-31(42-29)11-10-26-17-28(40-13-7-9-23-8-6-12-34-19-23)18-30(37-26)35-20-24-14-25(33)16-27(15-24)38-32(39)41-21(2)3/h6,8,12,14-19,21H,5,7,9-11,13,20H2,1-4H3,(H,35,37)(H,38,39)
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n/an/a 6.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human recombinant NPY Y1 receptor in CHO/dhFr- cell membranes using [125I]-PYY


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50342721
PNG
(CHEMBL1771259 | N1-(3-(2,6-dichloro-4-methoxypheny...)
Show SMILES COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1
Show InChI InChI=1S/C22H27Cl2N5O2/c1-13-10-19(26-7-6-25-15-4-8-31-9-5-15)29-22(27-13)20(14(2)28-29)21-17(23)11-16(30-3)12-18(21)24/h10-12,15,25-26H,4-9H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at NPY Y1 receptor in human SK-N-MC cells assessed as inhibition of NPY-induced calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301195
PNG
(6-((4,5-dimethyloxazol-2-ylthio)methyl)-N-((2-fluo...)
Show SMILES Cc1nc(SCc2cc(cc(NCc3cccnc3F)n2)N2CCOCC2)oc1C
Show InChI InChI=1S/C21H24FN5O2S/c1-14-15(2)29-21(25-14)30-13-17-10-18(27-6-8-28-9-7-27)11-19(26-17)24-12-16-4-3-5-23-20(16)22/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,24,26)
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n/an/a 7.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50301205
PNG
(CHEMBL566441 | [6-(4,5-Dimethyl-oxazol-2-ylsulfany...)
Show SMILES Cc1nc(SCc2cc(cc(NCc3cccc(F)n3)n2)N2CCS(=O)(=O)CC2)oc1C
Show InChI InChI=1S/C21H24FN5O3S2/c1-14-15(2)30-21(24-14)31-13-17-10-18(27-6-8-32(28,29)9-7-27)11-20(26-17)23-12-16-4-3-5-19(22)25-16/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,23,26)
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n/an/a 8n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156315
PNG
(4-[3-(3-{2-[1-(3-Chloro-phenyl)-piperidin-4-ylamin...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C31H38ClN5O5/c1-19-26(29(38)41-3)28(27(20(2)35-19)30(39)42-4)21-7-5-9-24(17-21)36-31(40)34-14-13-33-23-11-15-37(16-12-23)25-10-6-8-22(32)18-25/h5-10,17-18,23,26,28,33H,11-16H2,1-4H3,(H2,34,36,40)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50156321
PNG
(CHEMBL187490 | N-arylpiperazine derivative)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2cccc(Cl)c2)=NC#N)c1
Show InChI InChI=1S/C32H38ClN7O4/c1-20-27(30(41)43-3)29(28(21(2)38-20)31(42)44-4)22-7-5-9-25(17-22)39-32(37-19-34)36-14-13-35-24-11-15-40(16-12-24)26-10-6-8-23(33)18-26/h5-10,17-18,24,27,29,35H,11-16H2,1-4H3,(H2,36,37,39)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50142761
PNG
((3-Chloro-5-{[6-[2-(5-ethyl-4-methyl-thiazol-2-yl)...)
Show SMILES CCc1sc(CCc2cc(OC(C)COC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
Show InChI InChI=1S/C28H37ClN4O4S/c1-7-25-19(5)31-27(38-25)9-8-22-13-24(37-18(4)16-35-6)14-26(32-22)30-15-20-10-21(29)12-23(11-20)33-28(34)36-17(2)3/h10-14,17-18H,7-9,15-16H2,1-6H3,(H,30,32)(H,33,34)
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n/an/a 8.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human recombinant NPY Y1 receptor in CHO/dhFr- cell membranes using [125I]-PYY


Citation and Details
More data for this
Ligand-Target Pair
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