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Compile Data Set for Download or QSAR

Found 132 hits of ec50 data for polymerid = 49000833,49000834,49000835,49000836,49000837   
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)
BDBM50197025
PNG
(CHEMBL439904 | PYY(3-36))
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)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/C180H279N53O54/c1-17-91(12)141(185)171(282)214-114(27-18-19-61-181)175(286)232-67-25-33-130(232)169(280)211-111(53-58-137(247)248)147(258)204-94(15)174(285)231-66-24-32-129(231)168(279)200-82-135(244)205-109(52-57-136(245)246)152(263)226-126(80-140(253)254)157(268)203-93(14)146(257)228-128(84-235)176(287)233-68-26-34-131(233)170(281)212-113(55-60-139(251)252)154(265)210-112(54-59-138(249)250)155(266)216-117(70-87(4)5)159(270)224-124(78-133(183)242)164(275)208-106(29-21-63-197-178(189)190)150(261)220-121(75-98-39-47-103(239)48-40-98)162(273)221-120(74-97-37-45-102(238)46-38-97)156(267)202-92(13)145(256)227-127(83-234)167(278)219-116(69-86(2)3)158(269)207-107(30-22-64-198-179(191)192)151(262)223-123(77-100-81-195-85-201-100)163(274)222-122(76-99-41-49-104(240)50-42-99)161(272)217-118(71-88(6)7)160(271)225-125(79-134(184)243)165(276)218-119(72-89(8)9)166(277)229-142(90(10)11)172(283)230-143(95(16)236)173(284)213-108(31-23-65-199-180(193)194)148(259)209-110(51-56-132(182)241)153(264)206-105(28-20-62-196-177(187)188)149(260)215-115(144(186)255)73-96-35-43-101(237)44-36-96/h35-50,81,85-95,105-131,141-143,234-240H,17-34,51-80,82-84,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H2,186,255)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,264)(H,207,269)(H,208,275)(H,209,259)(H,210,265)(H,211,280)(H,212,281)(H,213,284)(H,214,282)(H,215,260)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,261)(H,221,273)(H,222,274)(H,223,262)(H,224,270)(H,225,271)(H,226,263)(H,227,256)(H,228,257)(H,229,277)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/an/an/a 5.60n/an/an/an/a


TBA

Assay Description
Agonist activity at human NPYY1 receptor expressed in HEK293 cells assessed as decrease in isoproterenol-induced cAMP level measured every 30 secs fo...


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


(HUMAN)
BDBM50444587
PNG
(CHEMBL3099724)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)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/C177H273N53O54/c1-16-88(10)138(182)168(279)212-112(26-17-18-60-178)172(283)229-66-24-32-127(229)166(277)209-109(52-57-134(244)245)145(256)202-92(14)171(282)228-65-23-31-126(228)165(276)197-80-132(241)203-107(51-56-133(242)243)150(261)223-123(78-137(250)251)156(267)200-90(12)143(254)225-125(82-232)173(284)230-67-25-33-128(230)167(278)210-111(54-59-136(248)249)152(263)208-110(53-58-135(246)247)153(264)214-115(69-85(4)5)158(269)222-122(77-131(181)240)163(274)206-104(28-20-62-194-175(186)187)148(259)217-118(73-96-38-46-101(236)47-39-96)161(272)218-117(72-95-36-44-100(235)45-37-95)154(265)199-89(11)142(253)224-124(81-231)164(275)216-114(68-84(2)3)157(268)205-105(29-21-63-195-176(188)189)149(260)220-120(75-98-79-192-83-198-98)162(273)219-119(74-97-40-48-102(237)49-41-97)160(271)215-116(70-86(6)7)159(270)221-121(76-130(180)239)155(266)201-91(13)144(255)226-139(87(8)9)169(280)227-140(93(15)233)170(281)211-106(30-22-64-196-177(190)191)146(257)207-108(50-55-129(179)238)151(262)204-103(27-19-61-193-174(184)185)147(258)213-113(141(183)252)71-94-34-42-99(234)43-35-94/h34-49,79,83-93,103-128,138-140,231-237H,16-33,50-78,80-82,178,182H2,1-15H3,(H2,179,238)(H2,180,239)(H2,181,240)(H2,183,252)(H,192,198)(H,197,276)(H,199,265)(H,200,267)(H,201,266)(H,202,256)(H,203,241)(H,204,262)(H,205,268)(H,206,274)(H,207,257)(H,208,263)(H,209,277)(H,210,278)(H,211,281)(H,212,279)(H,213,258)(H,214,264)(H,215,271)(H,216,275)(H,217,259)(H,218,272)(H,219,273)(H,220,260)(H,221,270)(H,222,269)(H,223,261)(H,224,253)(H,225,254)(H,226,255)(H,227,280)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t88-,89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,138-,139-,140-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
n/an/an/an/a 135n/an/an/an/a


TBA

Assay Description
Agonist activity at human NPYY1 receptor expressed in HEK293 cells assessed as decrease in isoproterenol-induced cAMP level measured every 30 secs fo...


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


(HUMAN)
BDBM50444589
PNG
(CHEMBL3099723)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)O[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/C177H272N52O55/c1-16-88(10)138(182)167(277)210-110(26-17-18-60-178)171(281)228-66-24-32-126(228)164(274)207-107(51-57-134(243)244)145(255)202-92(14)170(280)227-65-23-31-125(227)163(273)197-80-132(240)203-106(50-56-133(241)242)149(259)222-122(78-137(249)250)154(264)200-90(12)143(253)224-124(82-231)172(282)229-67-25-33-127(229)165(275)208-109(53-59-136(247)248)150(260)206-108(52-58-135(245)246)151(261)213-114(69-85(4)5)156(266)221-121(77-131(181)239)161(271)205-103(27-19-61-193-174(184)185)147(257)216-117(73-96-38-46-101(235)47-39-96)159(269)217-116(72-95-36-44-100(234)45-37-95)152(262)199-89(11)142(252)223-123(81-230)162(272)215-113(68-84(2)3)155(265)204-104(28-20-62-194-175(186)187)148(258)219-119(75-98-79-192-83-198-98)160(270)218-118(74-97-40-48-102(236)49-41-97)158(268)214-115(70-86(6)7)157(267)220-120(76-130(180)238)153(263)201-91(13)144(254)225-139(87(8)9)168(278)226-140(93(15)232)169(279)211-111(30-22-64-196-177(190)191)173(283)284-128(54-55-129(179)237)166(276)209-105(29-21-63-195-176(188)189)146(256)212-112(141(183)251)71-94-34-42-99(233)43-35-94/h34-49,79,83-93,103-128,138-140,230-236H,16-33,50-78,80-82,178,182H2,1-15H3,(H2,179,237)(H2,180,238)(H2,181,239)(H2,183,251)(H,192,198)(H,197,273)(H,199,262)(H,200,264)(H,201,263)(H,202,255)(H,203,240)(H,204,265)(H,205,271)(H,206,260)(H,207,274)(H,208,275)(H,209,276)(H,210,277)(H,211,279)(H,212,256)(H,213,261)(H,214,268)(H,215,272)(H,216,257)(H,217,269)(H,218,270)(H,219,258)(H,220,267)(H,221,266)(H,222,259)(H,223,252)(H,224,253)(H,225,254)(H,226,278)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t88-,89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,138-,139-,140-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
n/an/an/an/a 144n/an/an/an/a


TBA

Assay Description
Agonist activity at human NPYY1 receptor expressed in HEK293 cells assessed as decrease in isoproterenol-induced cAMP level measured every 30 secs fo...


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


(HUMAN)
BDBM50444587
PNG
(CHEMBL3099724)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)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/C177H273N53O54/c1-16-88(10)138(182)168(279)212-112(26-17-18-60-178)172(283)229-66-24-32-127(229)166(277)209-109(52-57-134(244)245)145(256)202-92(14)171(282)228-65-23-31-126(228)165(276)197-80-132(241)203-107(51-56-133(242)243)150(261)223-123(78-137(250)251)156(267)200-90(12)143(254)225-125(82-232)173(284)230-67-25-33-128(230)167(278)210-111(54-59-136(248)249)152(263)208-110(53-58-135(246)247)153(264)214-115(69-85(4)5)158(269)222-122(77-131(181)240)163(274)206-104(28-20-62-194-175(186)187)148(259)217-118(73-96-38-46-101(236)47-39-96)161(272)218-117(72-95-36-44-100(235)45-37-95)154(265)199-89(11)142(253)224-124(81-231)164(275)216-114(68-84(2)3)157(268)205-105(29-21-63-195-176(188)189)149(260)220-120(75-98-79-192-83-198-98)162(273)219-119(74-97-40-48-102(237)49-41-97)160(271)215-116(70-86(6)7)159(270)221-121(76-130(180)239)155(266)201-91(13)144(255)226-139(87(8)9)169(280)227-140(93(15)233)170(281)211-106(30-22-64-196-177(190)191)146(257)207-108(50-55-129(179)238)151(262)204-103(27-19-61-193-174(184)185)147(258)213-113(141(183)252)71-94-34-42-99(234)43-35-94/h34-49,79,83-93,103-128,138-140,231-237H,16-33,50-78,80-82,178,182H2,1-15H3,(H2,179,238)(H2,180,239)(H2,181,240)(H2,183,252)(H,192,198)(H,197,276)(H,199,265)(H,200,267)(H,201,266)(H,202,256)(H,203,241)(H,204,262)(H,205,268)(H,206,274)(H,207,257)(H,208,263)(H,209,277)(H,210,278)(H,211,281)(H,212,279)(H,213,258)(H,214,264)(H,215,271)(H,216,275)(H,217,259)(H,218,272)(H,219,273)(H,220,260)(H,221,270)(H,222,269)(H,223,261)(H,224,253)(H,225,254)(H,226,255)(H,227,280)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t88-,89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,138-,139-,140-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
n/an/an/an/a 164n/an/an/an/a


TBA

Assay Description
Agonist activity at human NPYY1 receptor expressed in HEK293 cells assessed as decrease in isoproterenol-induced cAMP level measured every 30 secs fo...


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


(HUMAN)
BDBM50444592
PNG
(CHEMBL3099721)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)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)O[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C177H272N52O55/c1-16-88(10)138(182)167(277)211-111(26-17-18-60-178)171(281)228-66-24-32-126(228)165(275)208-108(52-57-134(243)244)145(255)202-92(14)170(280)227-65-23-31-125(227)164(274)197-80-132(240)203-106(51-56-133(241)242)149(259)222-122(78-137(249)250)155(265)200-90(12)143(253)224-124(82-231)172(282)229-67-25-33-127(229)166(276)209-110(54-59-136(247)248)150(260)207-109(53-58-135(245)246)152(262)213-114(69-85(4)5)157(267)221-121(77-131(181)239)162(272)205-103(27-19-61-193-174(184)185)147(257)216-117(72-95-36-44-100(234)45-37-95)160(270)217-116(71-94-34-42-99(233)43-35-94)153(263)199-89(11)142(252)223-123(81-230)163(273)215-113(68-84(2)3)156(266)204-104(28-20-62-194-175(186)187)148(258)219-119(75-98-79-192-83-198-98)161(271)218-118(73-96-38-46-101(235)47-39-96)159(269)214-115(70-86(6)7)158(268)220-120(76-130(180)238)154(264)201-91(13)144(254)225-139(87(8)9)168(278)226-140(93(15)232)169(279)210-105(29-21-63-195-176(188)189)146(256)206-107(50-55-129(179)237)151(261)212-112(30-22-64-196-177(190)191)173(283)284-128(141(183)251)74-97-40-48-102(236)49-41-97/h34-49,79,83-93,103-128,138-140,230-236H,16-33,50-78,80-82,178,182H2,1-15H3,(H2,179,237)(H2,180,238)(H2,181,239)(H2,183,251)(H,192,198)(H,197,274)(H,199,263)(H,200,265)(H,201,264)(H,202,255)(H,203,240)(H,204,266)(H,205,272)(H,206,256)(H,207,260)(H,208,275)(H,209,276)(H,210,279)(H,211,277)(H,212,261)(H,213,262)(H,214,269)(H,215,273)(H,216,257)(H,217,270)(H,218,271)(H,219,258)(H,220,268)(H,221,267)(H,222,259)(H,223,252)(H,224,253)(H,225,254)(H,226,278)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t88-,89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,138-,139-,140-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
n/an/an/an/a 222n/an/an/an/a


TBA

Assay Description
Agonist activity at human NPYY1 receptor expressed in HEK293 cells assessed as decrease in isoproterenol-induced cAMP level measured every 30 secs fo...


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


(HUMAN)
BDBM50185364
PNG
(CHEMBL2371908 | CHEMBL415187 | Sub[-Tyr-Arg-Leu-Ar...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C80H122N24O18/c1-43(2)37-59(71(115)95-57(15-9-35-93-79(87)88)69(113)103-63(75(119)120)41-47-21-29-51(107)30-22-47)101-67(111)55(13-7-33-91-77(83)84)97-73(117)61(39-45-17-25-49(105)26-18-45)99-65(109)53(81)11-5-6-12-54(82)66(110)100-62(40-46-19-27-50(106)28-20-46)74(118)98-56(14-8-34-92-78(85)86)68(112)102-60(38-44(3)4)72(116)96-58(16-10-36-94-80(89)90)70(114)104-64(76(121)122)42-48-23-31-52(108)32-24-48/h17-32,43-44,53-64,105-108H,5-16,33-42,81-82H2,1-4H3,(H,95,115)(H,96,116)(H,97,117)(H,98,118)(H,99,109)(H,100,110)(H,101,111)(H,102,112)(H,103,113)(H,104,114)(H,119,120)(H,121,122)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t53?,54?,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 240n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 49: 2661-5 (2006)

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


(HUMAN)
BDBM50444588
PNG
(CHEMBL3099722)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)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)O[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C177H272N52O55/c1-16-88(10)138(182)167(277)210-110(26-17-18-60-178)171(281)228-66-24-31-126(228)164(274)207-107(52-57-134(243)244)145(255)202-92(14)170(280)227-65-23-30-125(227)163(273)197-80-132(240)203-106(51-56-133(241)242)149(259)222-122(78-137(249)250)154(264)200-90(12)143(253)224-124(82-231)172(282)229-67-25-32-127(229)165(275)208-109(54-59-136(247)248)150(260)206-108(53-58-135(245)246)151(261)213-114(69-85(4)5)156(266)221-121(77-131(181)239)161(271)205-103(27-19-61-193-174(184)185)147(257)216-117(73-96-38-46-101(235)47-39-96)159(269)217-116(72-95-36-44-100(234)45-37-95)152(262)199-89(11)142(252)223-123(81-230)162(272)215-113(68-84(2)3)155(265)204-104(28-20-62-194-175(186)187)148(258)219-119(75-98-79-192-83-198-98)160(270)218-118(74-97-40-48-102(236)49-41-97)158(268)214-115(70-86(6)7)157(267)220-120(76-130(180)238)153(263)201-91(13)144(254)225-139(87(8)9)168(278)226-140(93(15)232)169(279)209-105(29-21-63-195-176(188)189)146(256)211-111(50-55-129(179)237)173(283)284-128(33-22-64-196-177(190)191)166(276)212-112(141(183)251)71-94-34-42-99(233)43-35-94/h34-49,79,83-93,103-128,138-140,230-236H,16-33,50-78,80-82,178,182H2,1-15H3,(H2,179,237)(H2,180,238)(H2,181,239)(H2,183,251)(H,192,198)(H,197,273)(H,199,262)(H,200,264)(H,201,263)(H,202,255)(H,203,240)(H,204,265)(H,205,271)(H,206,260)(H,207,274)(H,208,275)(H,209,279)(H,210,277)(H,211,256)(H,212,276)(H,213,261)(H,214,268)(H,215,272)(H,216,257)(H,217,269)(H,218,270)(H,219,258)(H,220,267)(H,221,266)(H,222,259)(H,223,252)(H,224,253)(H,225,254)(H,226,278)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t88-,89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,138-,139-,140-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
n/an/an/an/a 380n/an/an/an/a


TBA

Assay Description
Agonist activity at human NPYY1 receptor expressed in HEK293 cells assessed as decrease in isoproterenol-induced cAMP level measured every 30 secs fo...


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


(HUMAN)
BDBM50444590
PNG
(CHEMBL3099727)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)O[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/C177H272N52O55/c1-16-88(10)138(182)168(278)211-111(26-17-18-60-178)171(281)228-66-24-31-126(228)165(275)208-108(52-57-134(243)244)145(255)202-92(14)170(280)227-65-23-30-125(227)164(274)197-80-132(240)203-106(51-56-133(241)242)149(259)222-122(78-137(249)250)155(265)200-90(12)143(253)224-124(82-231)172(282)229-67-25-32-127(229)166(276)209-110(54-59-136(247)248)151(261)207-109(53-58-135(245)246)152(262)213-114(69-85(4)5)157(267)221-121(77-131(181)239)162(272)206-104(28-20-62-194-175(186)187)147(257)216-117(73-96-38-46-101(235)47-39-96)160(270)217-116(72-95-36-44-100(234)45-37-95)153(263)199-89(11)142(252)223-123(81-230)163(273)215-113(68-84(2)3)156(266)205-105(29-21-63-195-176(188)189)148(258)219-119(75-98-79-192-83-198-98)161(271)218-118(74-97-40-48-102(236)49-41-97)159(269)214-115(70-86(6)7)158(268)220-120(76-130(180)238)154(264)201-91(13)144(254)225-139(87(8)9)169(279)226-140(93(15)232)173(283)284-128(33-22-64-196-177(190)191)167(277)210-107(50-55-129(179)237)150(260)204-103(27-19-61-193-174(184)185)146(256)212-112(141(183)251)71-94-34-42-99(233)43-35-94/h34-49,79,83-93,103-128,138-140,230-236H,16-33,50-78,80-82,178,182H2,1-15H3,(H2,179,237)(H2,180,238)(H2,181,239)(H2,183,251)(H,192,198)(H,197,274)(H,199,263)(H,200,265)(H,201,264)(H,202,255)(H,203,240)(H,204,260)(H,205,266)(H,206,272)(H,207,261)(H,208,275)(H,209,276)(H,210,277)(H,211,278)(H,212,256)(H,213,262)(H,214,269)(H,215,273)(H,216,257)(H,217,270)(H,218,271)(H,219,258)(H,220,268)(H,221,267)(H,222,259)(H,223,252)(H,224,253)(H,225,254)(H,226,279)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t88-,89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,138-,139-,140-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
n/an/an/an/a>500n/an/an/an/a


TBA

Assay Description
Agonist activity at human NPYY1 receptor expressed in HEK293 cells assessed as decrease in isoproterenol-induced cAMP level measured every 30 secs fo...


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


(HUMAN)
BDBM50444586
PNG
(CHEMBL3099725)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)O[C@@H](C(C)C)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/C177H272N52O55/c1-16-88(10)138(182)167(277)212-112(26-17-18-60-178)171(281)228-66-24-32-127(228)165(275)209-109(52-57-134(243)244)144(254)201-91(13)170(280)227-65-23-31-126(227)164(274)197-80-132(240)203-107(51-56-133(241)242)149(259)223-123(78-137(249)250)155(265)200-90(12)143(253)225-125(82-231)172(282)229-67-25-33-128(229)166(276)210-111(54-59-136(247)248)151(261)208-110(53-58-135(245)246)152(262)214-115(69-85(4)5)157(267)222-122(77-131(181)239)162(272)206-104(28-20-62-194-175(186)187)147(257)217-118(73-96-38-46-101(235)47-39-96)160(270)218-117(72-95-36-44-100(234)45-37-95)153(263)199-89(11)142(252)224-124(81-230)163(273)216-114(68-84(2)3)156(266)205-105(29-21-63-195-176(188)189)148(258)220-120(75-98-79-192-83-198-98)161(271)219-119(74-97-40-48-102(236)49-41-97)159(269)215-116(70-86(6)7)158(268)221-121(76-130(180)238)154(264)202-92(14)173(283)284-140(87(8)9)169(279)226-139(93(15)232)168(278)211-106(30-22-64-196-177(190)191)145(255)207-108(50-55-129(179)237)150(260)204-103(27-19-61-193-174(184)185)146(256)213-113(141(183)251)71-94-34-42-99(233)43-35-94/h34-49,79,83-93,103-128,138-140,230-236H,16-33,50-78,80-82,178,182H2,1-15H3,(H2,179,237)(H2,180,238)(H2,181,239)(H2,183,251)(H,192,198)(H,197,274)(H,199,263)(H,200,265)(H,201,254)(H,202,264)(H,203,240)(H,204,260)(H,205,266)(H,206,272)(H,207,255)(H,208,261)(H,209,275)(H,210,276)(H,211,278)(H,212,277)(H,213,256)(H,214,262)(H,215,269)(H,216,273)(H,217,257)(H,218,270)(H,219,271)(H,220,258)(H,221,268)(H,222,267)(H,223,259)(H,224,252)(H,225,253)(H,226,279)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t88-,89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,138-,139-,140-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
n/an/an/an/a>500n/an/an/an/a


TBA

Assay Description
Agonist activity at human NPYY1 receptor expressed in HEK293 cells assessed as decrease in isoproterenol-induced cAMP level measured every 30 secs fo...


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


(HUMAN)
BDBM50444591
PNG
(CHEMBL3099726)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[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/C177H272N52O55/c1-16-88(10)138(182)168(278)212-112(26-17-18-60-178)171(281)228-66-24-32-127(228)166(276)209-109(52-57-134(243)244)145(255)202-92(14)170(280)227-65-23-31-126(227)165(275)197-80-132(240)203-107(51-56-133(241)242)150(260)223-123(78-137(249)250)156(266)200-90(12)143(253)225-125(82-231)172(282)229-67-25-33-128(229)167(277)210-111(54-59-136(247)248)152(262)208-110(53-58-135(245)246)153(263)214-115(69-85(4)5)158(268)222-122(77-131(181)239)163(273)206-104(28-20-62-194-175(186)187)148(258)217-118(73-96-38-46-101(235)47-39-96)161(271)218-117(72-95-36-44-100(234)45-37-95)154(264)199-89(11)142(252)224-124(81-230)164(274)216-114(68-84(2)3)157(267)205-105(29-21-63-195-176(188)189)149(259)220-120(75-98-79-192-83-198-98)162(272)219-119(74-97-40-48-102(236)49-41-97)160(270)215-116(70-86(6)7)159(269)221-121(76-130(180)238)155(265)201-91(13)144(254)226-139(87(8)9)173(283)284-140(93(15)232)169(279)211-106(30-22-64-196-177(190)191)146(256)207-108(50-55-129(179)237)151(261)204-103(27-19-61-193-174(184)185)147(257)213-113(141(183)251)71-94-34-42-99(233)43-35-94/h34-49,79,83-93,103-128,138-140,230-236H,16-33,50-78,80-82,178,182H2,1-15H3,(H2,179,237)(H2,180,238)(H2,181,239)(H2,183,251)(H,192,198)(H,197,275)(H,199,264)(H,200,266)(H,201,265)(H,202,255)(H,203,240)(H,204,261)(H,205,267)(H,206,273)(H,207,256)(H,208,262)(H,209,276)(H,210,277)(H,211,279)(H,212,278)(H,213,257)(H,214,263)(H,215,270)(H,216,274)(H,217,258)(H,218,271)(H,219,272)(H,220,259)(H,221,269)(H,222,268)(H,223,260)(H,224,252)(H,225,253)(H,226,254)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t88-,89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,138-,139-,140-/m0/s1
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n/an/an/an/a>500n/an/an/an/a


TBA

Assay Description
Agonist activity at human NPYY1 receptor expressed in HEK293 cells assessed as decrease in isoproterenol-induced cAMP level measured every 30 secs fo...


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


(HUMAN)
BDBM50185366
PNG
(CHEMBL2371911 | CHEMBL436499 | Sub[-Trp-Arg-Nva-Ar...)
Show SMILES CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(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/C82H122N28O14/c1-3-15-57(71(117)103-61(25-13-37-97-81(91)92)75(121)107-63(67(85)113)39-45-27-31-49(111)32-28-45)101-73(119)59(23-11-35-95-79(87)88)105-77(123)65(41-47-43-99-55-21-9-5-17-51(47)55)109-69(115)53(83)19-7-8-20-54(84)70(116)110-66(42-48-44-100-56-22-10-6-18-52(48)56)78(124)106-60(24-12-36-96-80(89)90)74(120)102-58(16-4-2)72(118)104-62(26-14-38-98-82(93)94)76(122)108-64(68(86)114)40-46-29-33-50(112)34-30-46/h5-6,9-10,17-18,21-22,27-34,43-44,53-54,57-66,99-100,111-112H,3-4,7-8,11-16,19-20,23-26,35-42,83-84H2,1-2H3,(H2,85,113)(H2,86,114)(H,101,119)(H,102,120)(H,103,117)(H,104,118)(H,105,123)(H,106,124)(H,107,121)(H,108,122)(H,109,115)(H,110,116)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t53?,54?,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1
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PubMed
n/an/an/an/a 1.41E+3n/an/an/an/a



University of Cincinnati

Curated by ChEMBL


Assay Description
Agonist activity at human NPY1 receptor in CHO cells by inhibition of forskolin-stimulated cAMP synthesis


J Med Chem 49: 2661-5 (2006)

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


(HUMAN)
BDBM48527
PNG
(1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinol...)
Show SMILES Cc1cccc(c1)N1CCc2c1nc1ccccc1c2N
Show InChI InChI=1S/C18H17N3/c1-12-5-4-6-13(11-12)21-10-9-15-17(19)14-7-2-3-8-16(14)20-18(15)21/h2-8,11H,9-10H2,1H3,(H2,19,20)
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n/an/an/an/a 3.07E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61825
PNG
(2-chloranyl-5-nitro-benzoic acid;5-methyl-1,2,3,4-...)
Show SMILES Cc1cccc2c(N)c3CCCCc3nc12
Show InChI InChI=1S/C14H16N2/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h4-5,7H,2-3,6,8H2,1H3,(H2,15,16)
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n/an/an/an/a 3.41E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM34807
PNG
((4E)-2,3-bis(oxidanyl)-4-[[(2-propan-2-ylimino-4-t...)
Show SMILES CC(C)N=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C17H17N3O3S2/c1-10(2)19-17-20(12(9-25-17)14-4-3-7-24-14)18-8-11-5-6-13(21)16(23)15(11)22/h3-10,21-23H,1-2H3
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n/an/an/an/a 3.94E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61778
PNG
(2-benzyl-3-[4-(diethylamino)anilino]-3-keto-propio...)
Show SMILES CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(cc1)N(CC)CC
Show InChI InChI=1S/C22H28N2O3/c1-4-24(5-2)19-14-12-18(13-15-19)23-21(25)20(22(26)27-6-3)16-17-10-8-7-9-11-17/h7-15,20H,4-6,16H2,1-3H3,(H,23,25)
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n/an/an/an/a 5.40E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61825
PNG
(2-chloranyl-5-nitro-benzoic acid;5-methyl-1,2,3,4-...)
Show SMILES Cc1cccc2c(N)c3CCCCc3nc12
Show InChI InChI=1S/C14H16N2/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h4-5,7H,2-3,6,8H2,1H3,(H2,15,16)
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n/an/an/an/a 5.53E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM58193
PNG
(1-(3,4-dichlorophenyl)-3-[2-[2,6-dinitro-4-(triflu...)
Show SMILES [O-][N+](=O)c1cc(cc(c1NCCNC(=S)Nc1ccc(Cl)c(Cl)c1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C16H12Cl2F3N5O4S/c17-10-2-1-9(7-11(10)18)24-15(31)23-4-3-22-14-12(25(27)28)5-8(16(19,20)21)6-13(14)26(29)30/h1-2,5-7,22H,3-4H2,(H2,23,24,31)
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n/an/an/an/a 6.00E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61809
PNG
((4-fluorophenyl)-[2-(2-furyl)imidazo[1,2-a]pyridin...)
Show SMILES Fc1ccc(Nc2c(nc3ccccn23)-c2ccco2)cc1
Show InChI InChI=1S/C17H12FN3O/c18-12-6-8-13(9-7-12)19-17-16(14-4-3-11-22-14)20-15-5-1-2-10-21(15)17/h1-11,19H
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n/an/an/an/a 6.46E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61818
PNG
(3-methyl-5-nitro-1H-indole-2-carboxylic acid | MLS...)
Show SMILES Cc1c([nH]c2ccc(cc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C10H8N2O4/c1-5-7-4-6(12(15)16)2-3-8(7)11-9(5)10(13)14/h2-4,11H,1H3,(H,13,14)
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n/an/an/an/a 6.64E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61778
PNG
(2-benzyl-3-[4-(diethylamino)anilino]-3-keto-propio...)
Show SMILES CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(cc1)N(CC)CC
Show InChI InChI=1S/C22H28N2O3/c1-4-24(5-2)19-14-12-18(13-15-19)23-21(25)20(22(26)27-6-3)16-17-10-8-7-9-11-17/h7-15,20H,4-6,16H2,1-3H3,(H,23,25)
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n/an/an/an/a 7.05E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61831
PNG
(3-chloranyl-5-diazanyl-1,2-thiazole-4-carbonitrile...)
Show SMILES NNc1snc(Cl)c1C#N
Show InChI InChI=1S/C4H3ClN4S/c5-3-2(1-6)4(8-7)10-9-3/h8H,7H2
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n/an/an/an/a 7.05E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM40182
PNG
(2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]s...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc32)nnc1-c1ccc(N)cc1
Show InChI InChI=1S/C24H21N5O2S/c1-2-29-23(15-7-9-16(25)10-8-15)27-28-24(29)32-14-22(30)26-17-11-12-19-18-5-3-4-6-20(18)31-21(19)13-17/h3-13H,2,14,25H2,1H3,(H,26,30)
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n/an/an/an/a 7.16E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM56597
PNG
(5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(4-chloro...)
Show SMILES Nc1c(c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H18ClN5S/c24-16-10-12-17(13-11-16)29-22(25)21(15-6-2-1-3-7-15)20(28-29)14-30-23-26-18-8-4-5-9-19(18)27-23/h1-13H,14,25H2,(H,26,27)
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n/an/an/an/a 7.41E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61783
PNG
(1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfon...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H18Cl2FN3O3S/c19-12-1-6-17(16(20)11-12)23-18(25)22-14-7-9-24(10-8-14)28(26,27)15-4-2-13(21)3-5-15/h1-6,11,14H,7-10H2,(H2,22,23,25)
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n/an/an/an/a 7.41E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM55630
PNG
(12-benzoyl-9,10-dimethylacenaphtho[1,2-d][1,3]thia...)
Show SMILES [Br-].Cc1sc2cc3-c4cccc5cccc(-c3c(C(=O)c3ccccc3)[n+]2c1C)c45
Show InChI InChI=1S/C26H18NOS.BrH/c1-15-16(2)29-22-14-21-19-12-6-10-17-11-7-13-20(23(17)19)24(21)25(27(15)22)26(28)18-8-4-3-5-9-18;/h3-14H,1-2H3;1H/q+1;/p-1
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n/an/an/an/a 8.20E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61795
PNG
(1-(2-allylphenoxy)-3-[4-(4-methylphenyl)piperazin-...)
Show SMILES Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2CC=C)CC1
Show InChI InChI=1S/C23H30N2O2/c1-3-6-20-7-4-5-8-23(20)27-18-22(26)17-24-13-15-25(16-14-24)21-11-9-19(2)10-12-21/h3-5,7-12,22,26H,1,6,13-18H2,2H3
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n/an/an/an/a 8.50E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM48679
PNG
(2-[(4-chlorophenyl)hydrazinylidene]-3-oxidanyliden...)
Show SMILES Clc1ccc(NN=C(C#N)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H10ClN3O/c16-12-6-8-13(9-7-12)18-19-14(10-17)15(20)11-4-2-1-3-5-11/h1-9,18H
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n/an/an/an/a 9.38E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61814
PNG
(1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-(2-nitroph...)
Show SMILES COc1ccc(cc1)N1CCN(CC(O)COc2ccccc2[N+]([O-])=O)CC1
Show InChI InChI=1S/C20H25N3O5/c1-27-18-8-6-16(7-9-18)22-12-10-21(11-13-22)14-17(24)15-28-20-5-3-2-4-19(20)23(25)26/h2-9,17,24H,10-15H2,1H3
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n/an/an/an/a 9.49E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM25756
PNG
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
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n/an/an/an/a 9.61E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61788
PNG
(MLS000765823 | N-(4-cyclohexylphenyl)-1-methyl-4-n...)
Show SMILES Cn1cc(c(n1)C(=O)Nc1ccc(cc1)C1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C17H20N4O3/c1-20-11-15(21(23)24)16(19-20)17(22)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,18,22)
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n/an/an/an/a 9.71E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM31712
PNG
(HEXACHLOROPHENE | MLS000028433 | SMR000058356 | ci...)
Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
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n/an/an/an/a 9.80E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61824
PNG
(2-[(2-methyl-5-oxidanylidene-3-phenyl-4H-imidazol-...)
Show SMILES Cc1nc(O)c(N=Nc2ccccc2C(O)=O)n1-c1ccccc1
Show InChI InChI=1S/C17H14N4O3/c1-11-18-16(22)15(21(11)12-7-3-2-4-8-12)20-19-14-10-6-5-9-13(14)17(23)24/h2-10,22H,1H3,(H,23,24)
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n/an/an/an/a 9.92E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM58038
PNG
(2-(3-Bromo-phenyl)-3-(4-chloro-phenyl)-1H-imidazo[...)
Show SMILES Clc1ccc(cc1)-[n+]1c([nH]c2nc3ccccc3nc12)-c1cccc(Br)c1
Show InChI InChI=1S/C21H12BrClN4/c22-14-5-3-4-13(12-14)20-26-19-21(25-18-7-2-1-6-17(18)24-19)27(20)16-10-8-15(23)9-11-16/h1-12H/p+1
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n/an/an/an/a 1.01E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM58040
PNG
(1-(4-Bromo-phenyl)-4,4,4-trifluoro-2-[(3-nitro-phe...)
Show SMILES [O-][N+](=O)c1cccc(NN=C(C(=O)c2ccc(Br)cc2)C(=O)C(F)(F)F)c1
Show InChI InChI=1S/C16H9BrF3N3O4/c17-10-6-4-9(5-7-10)14(24)13(15(25)16(18,19)20)22-21-11-2-1-3-12(8-11)23(26)27/h1-8,21H
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n/an/an/an/a 1.06E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM57764
PNG
(4-(4-anilinoanilino)-2-quinazolinecarboxylic acid ...)
Show SMILES CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1
Show InChI InChI=1S/C23H20N4O2/c1-2-29-23(28)22-26-20-11-7-6-10-19(20)21(27-22)25-18-14-12-17(13-15-18)24-16-8-4-3-5-9-16/h3-15,24H,2H2,1H3,(H,25,26,27)
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n/an/an/an/a 1.09E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM58193
PNG
(1-(3,4-dichlorophenyl)-3-[2-[2,6-dinitro-4-(triflu...)
Show SMILES [O-][N+](=O)c1cc(cc(c1NCCNC(=S)Nc1ccc(Cl)c(Cl)c1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C16H12Cl2F3N5O4S/c17-10-2-1-9(7-11(10)18)24-15(31)23-4-3-22-14-12(25(27)28)5-8(16(19,20)21)6-13(14)26(29)30/h1-2,5-7,22H,3-4H2,(H2,23,24,31)
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n/an/an/an/a 1.12E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM46413
PNG
(2-benzyl-5-(4-bromophenyl)pyrazol-3-amine | 5-(4-b...)
Show SMILES Nc1cc(nn1Cc1ccccc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H14BrN3/c17-14-8-6-13(7-9-14)15-10-16(18)20(19-15)11-12-4-2-1-3-5-12/h1-10H,11,18H2
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n/an/an/an/a 1.16E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61791
PNG
(1-(4-chloranylphenoxy)-3-(2,3-dihydro-1H-inden-2-y...)
Show SMILES OC(CNC1Cc2ccccc2C1)COc1ccc(Cl)cc1
Show InChI InChI=1S/C18H20ClNO2/c19-15-5-7-18(8-6-15)22-12-17(21)11-20-16-9-13-3-1-2-4-14(13)10-16/h1-8,16-17,20-21H,9-12H2
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n/an/an/an/a 1.16E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61794
PNG
(3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[...)
Show SMILES CCSc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1
Show InChI InChI=1S/C12H15BrN6O3S3/c1-2-23-12-19-18-11(24-12)17-9(20)3-4-16-25(21,22)8-5-7(13)6-15-10(8)14/h5-6,16H,2-4H2,1H3,(H2,14,15)(H,17,18,20)
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n/an/an/an/a 1.17E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM47430
PNG
((5Z)-3-anilino-5-(3,4-dihydroxybenzylidene)-2-thio...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C16H12N2O3S2/c19-12-7-6-10(8-13(12)20)9-14-15(21)18(16(22)23-14)17-11-4-2-1-3-5-11/h1-9,17,19-20H/b14-9-
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n/an/an/an/a>1.18E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM54136
PNG
(2-[[(Z)-[1,3-diketo-2-[3-[(2-methoxyphenyl)sulfamo...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cccc(c1)-n1c(O)c(C=Nc2ccccc2C(O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C30H23N3O7S/c1-40-27-16-7-6-15-26(27)32-41(38,39)20-10-8-9-19(17-20)33-28(34)22-12-3-2-11-21(22)24(29(33)35)18-31-25-14-5-4-13-23(25)30(36)37/h2-18,32,35H,1H3,(H,36,37)
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n/an/an/an/a>1.18E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM34803
PNG
((4E)-2,3-dihydroxy-4-[[[2-(2-methoxyethylimino)-4-...)
Show SMILES COCCN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C17H17N3O4S2/c1-24-7-6-18-17-20(12(10-26-17)14-3-2-8-25-14)19-9-11-4-5-13(21)16(23)15(11)22/h2-5,8-10,21-23H,6-7H2,1H3
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n/an/an/an/a 1.18E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM54120
PNG
(2-[[(Z)-(1,3-diketo-2-p-anisyl-4-isoquinolylidene)...)
Show SMILES COc1ccc(CN2C(=O)C(=CNc3ccccc3C(O)=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C25H20N2O5/c1-32-17-12-10-16(11-13-17)15-27-23(28)19-7-3-2-6-18(19)21(24(27)29)14-26-22-9-5-4-8-20(22)25(30)31/h2-14,26H,15H2,1H3,(H,30,31)
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n/an/an/an/a>1.18E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61835
PNG
(MLS001003888 | N-[(6-fluoranyl-2,3-dihydrothiochro...)
Show SMILES Fc1ccc2SCCC(=NNc3ccccn3)c2c1
Show InChI InChI=1S/C14H12FN3S/c15-10-4-5-13-11(9-10)12(6-8-19-13)17-18-14-3-1-2-7-16-14/h1-5,7,9H,6,8H2,(H,16,18)
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n/an/an/an/a 1.24E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61800
PNG
(1-(9-carbazolyl)-3-(diethylamino)-2-propanol | 1-c...)
Show SMILES CCN(CC)CC(O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C19H24N2O/c1-3-20(4-2)13-15(22)14-21-18-11-7-5-9-16(18)17-10-6-8-12-19(17)21/h5-12,15,22H,3-4,13-14H2,1-2H3
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n/an/an/an/a 1.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM57123
PNG
(MLS000533426 | N'-(3-chlorophenyl)-N-(2,4-dich...)
Show SMILES CC(=O)C(Nc1ccc(Cl)cc1Cl)=NNc1cccc(Cl)c1
Show InChI InChI=1S/C15H12Cl3N3O/c1-9(22)15(19-14-6-5-11(17)8-13(14)18)21-20-12-4-2-3-10(16)7-12/h2-8,20H,1H3,(H,19,21)
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n/an/an/an/a 1.26E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM47537
PNG
(MLS000707627 | N-(2-chloranyl-5-piperidin-1-ylsulf...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H23ClFN3O5S2/c25-21-13-12-19(36(33,34)29-14-4-1-5-15-29)16-23(21)27-24(30)20-6-2-3-7-22(20)28-35(31,32)18-10-8-17(26)9-11-18/h2-3,6-13,16,28H,1,4-5,14-15H2,(H,27,30)
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n/an/an/an/a 1.27E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM57764
PNG
(4-(4-anilinoanilino)-2-quinazolinecarboxylic acid ...)
Show SMILES CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1
Show InChI InChI=1S/C23H20N4O2/c1-2-29-23(28)22-26-20-11-7-6-10-19(20)21(27-22)25-18-14-12-17(13-15-18)24-16-8-4-3-5-9-16/h3-15,24H,2H2,1H3,(H,25,26,27)
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PCBioAssay
n/an/an/an/a 1.32E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM61797
PNG
(MLS000046894 | N-(2-cyclohex-1-en-1-ylethyl)-6-[(d...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c(O)c2c1
Show InChI InChI=1S/C22H29N3O4S/c1-3-25(4-2)30(28,29)17-10-11-20-18(14-17)21(26)19(15-24-20)22(27)23-13-12-16-8-6-5-7-9-16/h8,10-11,14-15H,3-7,9,12-13H2,1-2H3,(H,23,27)(H,24,26)
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n/an/an/an/a 1.33E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

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


(HUMAN)
BDBM55896
PNG
(2-[(E)-[4-keto-3-(tetrahydrofurfuryl)-2-thioxo-thi...)
Show SMILES COc1ccc(Nc2oc(\C=C3\SC(=S)N(CC4CCCO4)C3=O)nc2C#N)cc1
Show InChI InChI=1S/C20H18N4O4S2/c1-26-13-6-4-12(5-7-13)22-18-15(10-21)23-17(28-18)9-16-19(25)24(20(29)30-16)11-14-3-2-8-27-14/h4-7,9,14,22H,2-3,8,11H2,1H3/b16-9+
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n/an/an/an/a 1.36E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
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