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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 4143.6
BDBM82289

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM82289
PNG
(I31,G34-PP,human)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C182H283N53O54S2/c1-21-88(9)140(172(283)225-122(81-133(187)245)163(274)212-113(62-72-291-20)157(268)228-141(89(10)22-2)173(284)230-142(96(17)236)174(285)214-106(31-23-63-197-179(189)190)150(261)201-84-134(246)207-107(32-24-64-198-180(191)192)152(263)216-115(144(188)255)75-98-39-47-102(238)48-40-98)229-166(277)119(77-100-43-51-104(240)52-44-100)221-154(265)109(34-26-66-200-182(195)196)209-153(264)108(33-25-65-199-181(193)194)210-160(271)116(73-85(3)4)219-164(275)123(82-137(251)252)217-147(258)92(13)202-145(256)91(12)204-158(269)118(76-99-41-49-103(239)50-42-99)220-155(266)110(55-58-130(184)242)208-146(257)93(14)203-151(262)112(61-71-290-19)211-162(273)121(80-132(186)244)222-156(267)111(56-59-135(247)248)213-168(279)128-37-30-70-235(128)178(289)143(97(18)237)231-149(260)95(16)205-159(270)120(79-131(185)243)223-165(276)124(83-138(253)254)218-148(259)94(15)206-167(278)126-35-28-69-234(126)177(288)125(78-101-45-53-105(241)54-46-101)226-171(282)139(87(7)8)227-170(281)129-38-29-68-233(129)176(287)114(57-60-136(249)250)215-161(272)117(74-86(5)6)224-169(280)127-36-27-67-232(127)175(286)90(11)183/h39-54,85-97,106-129,139-143,236-241H,21-38,55-84,183H2,1-20H3,(H2,184,242)(H2,185,243)(H2,186,244)(H2,187,245)(H2,188,255)(H,201,261)(H,202,256)(H,203,262)(H,204,269)(H,205,270)(H,206,278)(H,207,246)(H,208,257)(H,209,264)(H,210,271)(H,211,273)(H,212,274)(H,213,279)(H,214,285)(H,215,272)(H,216,263)(H,217,258)(H,218,259)(H,219,275)(H,220,266)(H,221,265)(H,222,267)(H,223,276)(H,224,280)(H,225,283)(H,226,282)(H,227,281)(H,228,268)(H,229,277)(H,230,284)(H,231,260)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/p+2/t88?,89?,90?,91-,92-,93-,94?,95-,96+,97?,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,139-,140-,141-,142-,143-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0900n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26762-5 (1995)


Article DOI: 10.1074/jbc.270.45.26762
BindingDB Entry DOI: 10.7270/Q2K9362H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM82289
PNG
(I31,G34-PP,human)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C182H283N53O54S2/c1-21-88(9)140(172(283)225-122(81-133(187)245)163(274)212-113(62-72-291-20)157(268)228-141(89(10)22-2)173(284)230-142(96(17)236)174(285)214-106(31-23-63-197-179(189)190)150(261)201-84-134(246)207-107(32-24-64-198-180(191)192)152(263)216-115(144(188)255)75-98-39-47-102(238)48-40-98)229-166(277)119(77-100-43-51-104(240)52-44-100)221-154(265)109(34-26-66-200-182(195)196)209-153(264)108(33-25-65-199-181(193)194)210-160(271)116(73-85(3)4)219-164(275)123(82-137(251)252)217-147(258)92(13)202-145(256)91(12)204-158(269)118(76-99-41-49-103(239)50-42-99)220-155(266)110(55-58-130(184)242)208-146(257)93(14)203-151(262)112(61-71-290-19)211-162(273)121(80-132(186)244)222-156(267)111(56-59-135(247)248)213-168(279)128-37-30-70-235(128)178(289)143(97(18)237)231-149(260)95(16)205-159(270)120(79-131(185)243)223-165(276)124(83-138(253)254)218-148(259)94(15)206-167(278)126-35-28-69-234(126)177(288)125(78-101-45-53-105(241)54-46-101)226-171(282)139(87(7)8)227-170(281)129-38-29-68-233(129)176(287)114(57-60-136(249)250)215-161(272)117(74-86(5)6)224-169(280)127-36-27-67-232(127)175(286)90(11)183/h39-54,85-97,106-129,139-143,236-241H,21-38,55-84,183H2,1-20H3,(H2,184,242)(H2,185,243)(H2,186,244)(H2,187,245)(H2,188,255)(H,201,261)(H,202,256)(H,203,262)(H,204,269)(H,205,270)(H,206,278)(H,207,246)(H,208,257)(H,209,264)(H,210,271)(H,211,273)(H,212,274)(H,213,279)(H,214,285)(H,215,272)(H,216,263)(H,217,258)(H,218,259)(H,219,275)(H,220,266)(H,221,265)(H,222,267)(H,223,276)(H,224,280)(H,225,283)(H,226,282)(H,227,281)(H,228,268)(H,229,277)(H,230,284)(H,231,260)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/p+2/t88?,89?,90?,91-,92-,93-,94?,95-,96+,97?,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,139-,140-,141-,142-,143-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26758-61 (1995)


Article DOI: 10.1074/jbc.270.45.26758
BindingDB Entry DOI: 10.7270/Q2Q23XSF
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM82289
PNG
(I31,G34-PP,human)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C182H283N53O54S2/c1-21-88(9)140(172(283)225-122(81-133(187)245)163(274)212-113(62-72-291-20)157(268)228-141(89(10)22-2)173(284)230-142(96(17)236)174(285)214-106(31-23-63-197-179(189)190)150(261)201-84-134(246)207-107(32-24-64-198-180(191)192)152(263)216-115(144(188)255)75-98-39-47-102(238)48-40-98)229-166(277)119(77-100-43-51-104(240)52-44-100)221-154(265)109(34-26-66-200-182(195)196)209-153(264)108(33-25-65-199-181(193)194)210-160(271)116(73-85(3)4)219-164(275)123(82-137(251)252)217-147(258)92(13)202-145(256)91(12)204-158(269)118(76-99-41-49-103(239)50-42-99)220-155(266)110(55-58-130(184)242)208-146(257)93(14)203-151(262)112(61-71-290-19)211-162(273)121(80-132(186)244)222-156(267)111(56-59-135(247)248)213-168(279)128-37-30-70-235(128)178(289)143(97(18)237)231-149(260)95(16)205-159(270)120(79-131(185)243)223-165(276)124(83-138(253)254)218-148(259)94(15)206-167(278)126-35-28-69-234(126)177(288)125(78-101-45-53-105(241)54-46-101)226-171(282)139(87(7)8)227-170(281)129-38-29-68-233(129)176(287)114(57-60-136(249)250)215-161(272)117(74-86(5)6)224-169(280)127-36-27-67-232(127)175(286)90(11)183/h39-54,85-97,106-129,139-143,236-241H,21-38,55-84,183H2,1-20H3,(H2,184,242)(H2,185,243)(H2,186,244)(H2,187,245)(H2,188,255)(H,201,261)(H,202,256)(H,203,262)(H,204,269)(H,205,270)(H,206,278)(H,207,246)(H,208,257)(H,209,264)(H,210,271)(H,211,273)(H,212,274)(H,213,279)(H,214,285)(H,215,272)(H,216,263)(H,217,258)(H,218,259)(H,219,275)(H,220,266)(H,221,265)(H,222,267)(H,223,276)(H,224,280)(H,225,283)(H,226,282)(H,227,281)(H,228,268)(H,229,277)(H,230,284)(H,231,260)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/p+2/t88?,89?,90?,91-,92-,93-,94?,95-,96+,97?,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,139-,140-,141-,142-,143-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
589n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26758-61 (1995)


Article DOI: 10.1074/jbc.270.45.26758
BindingDB Entry DOI: 10.7270/Q2Q23XSF
More data for this
Ligand-Target Pair