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PubMed code 20042335

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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
PPYR1


(HUMAN)
BDBM50309856
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S)...)
Show SMILES CSCC[C@H](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](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C137H198N38O44S/c1-67(2)52-89(120(204)158-83(18-11-46-148-137(144)145)116(200)165-92(57-76-62-146-66-150-76)123(207)161-88(110(141)194)54-73-25-33-78(179)34-26-73)162-113(197)69(4)152-126(210)97(64-176)170-122(206)91(56-75-29-37-80(181)38-30-75)164-121(205)90(55-74-27-35-79(180)36-28-74)163-115(199)82(17-10-45-147-136(142)143)156-111(195)68(3)151-114(198)86(43-51-220-7)159-124(208)94(60-108(190)191)167-118(202)85(40-42-106(186)187)157-112(196)70(5)153-129(213)100-20-13-47-172(100)132(216)71(6)154-119(203)93(59-107(188)189)166-117(201)84(39-41-105(184)185)155-104(183)63-149-128(212)99-19-12-49-174(99)135(219)96(58-103(140)182)169-125(209)95(61-109(192)193)168-130(214)102-22-15-50-175(102)134(218)87(16-8-9-44-138)160-127(211)98(65-177)171-131(215)101-21-14-48-173(101)133(217)81(139)53-72-23-31-77(178)32-24-72/h23-38,62,66-71,81-102,176-181H,8-22,39-61,63-65,138-139H2,1-7H3,(H2,140,182)(H2,141,194)(H,146,150)(H,149,212)(H,151,198)(H,152,210)(H,153,213)(H,154,203)(H,155,183)(H,156,195)(H,157,196)(H,158,204)(H,159,208)(H,160,211)(H,161,207)(H,162,197)(H,163,199)(H,164,205)(H,165,200)(H,166,201)(H,167,202)(H,168,214)(H,169,209)(H,170,206)(H,171,215)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H4,142,143,147)(H4,144,145,148)/t68-,69-,70-,71-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.360n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]Pancreatic polypeptide from human neuropeptide Y4 receptor in human HEK293 cells after 40 mins


Bioorg Med Chem Lett 20: 950-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.068
BindingDB Entry DOI: 10.7270/Q2V9886H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50309856
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S)...)
Show SMILES CSCC[C@H](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](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C137H198N38O44S/c1-67(2)52-89(120(204)158-83(18-11-46-148-137(144)145)116(200)165-92(57-76-62-146-66-150-76)123(207)161-88(110(141)194)54-73-25-33-78(179)34-26-73)162-113(197)69(4)152-126(210)97(64-176)170-122(206)91(56-75-29-37-80(181)38-30-75)164-121(205)90(55-74-27-35-79(180)36-28-74)163-115(199)82(17-10-45-147-136(142)143)156-111(195)68(3)151-114(198)86(43-51-220-7)159-124(208)94(60-108(190)191)167-118(202)85(40-42-106(186)187)157-112(196)70(5)153-129(213)100-20-13-47-172(100)132(216)71(6)154-119(203)93(59-107(188)189)166-117(201)84(39-41-105(184)185)155-104(183)63-149-128(212)99-19-12-49-174(99)135(219)96(58-103(140)182)169-125(209)95(61-109(192)193)168-130(214)102-22-15-50-175(102)134(218)87(16-8-9-44-138)160-127(211)98(65-177)171-131(215)101-21-14-48-173(101)133(217)81(139)53-72-23-31-77(178)32-24-72/h23-38,62,66-71,81-102,176-181H,8-22,39-61,63-65,138-139H2,1-7H3,(H2,140,182)(H2,141,194)(H,146,150)(H,149,212)(H,151,198)(H,152,210)(H,153,213)(H,154,203)(H,155,183)(H,156,195)(H,157,196)(H,158,204)(H,159,208)(H,160,211)(H,161,207)(H,162,197)(H,163,199)(H,164,205)(H,165,200)(H,166,201)(H,167,202)(H,168,214)(H,169,209)(H,170,206)(H,171,215)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H4,142,143,147)(H4,144,145,148)/t68-,69-,70-,71-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.10n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from human neuropeptide Y1 receptor expressed in human MCF7 cells after 40 mins


Bioorg Med Chem Lett 20: 950-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.068
BindingDB Entry DOI: 10.7270/Q2V9886H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50309855
PNG
((3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-4-amino-2-((2...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)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
Show InChI InChI=1S/C57H90N16O13/c1-7-31(5)45(59)52(82)70-41(29-44(58)76)54(84)73-25-11-14-43(73)51(81)72-46(32(6)8-2)53(83)69-40(27-33-15-19-35(74)20-16-33)50(80)67-37(12-9-23-64-56(60)61)47(77)68-39(26-30(3)4)49(79)66-38(13-10-24-65-57(62)63)48(78)71-42(55(85)86)28-34-17-21-36(75)22-18-34/h15-22,30-32,37-43,45-46,74-75H,7-14,23-29,59H2,1-6H3,(H2,58,76)(H,66,79)(H,67,80)(H,68,77)(H,69,83)(H,70,82)(H,71,78)(H,72,81)(H,85,86)(H4,60,61,64)(H4,62,63,65)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from human neuropeptide Y1 receptor expressed in human MCF7 cells after 40 mins


Bioorg Med Chem Lett 20: 950-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.068
BindingDB Entry DOI: 10.7270/Q2V9886H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50309856
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S)...)
Show SMILES CSCC[C@H](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](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C137H198N38O44S/c1-67(2)52-89(120(204)158-83(18-11-46-148-137(144)145)116(200)165-92(57-76-62-146-66-150-76)123(207)161-88(110(141)194)54-73-25-33-78(179)34-26-73)162-113(197)69(4)152-126(210)97(64-176)170-122(206)91(56-75-29-37-80(181)38-30-75)164-121(205)90(55-74-27-35-79(180)36-28-74)163-115(199)82(17-10-45-147-136(142)143)156-111(195)68(3)151-114(198)86(43-51-220-7)159-124(208)94(60-108(190)191)167-118(202)85(40-42-106(186)187)157-112(196)70(5)153-129(213)100-20-13-47-172(100)132(216)71(6)154-119(203)93(59-107(188)189)166-117(201)84(39-41-105(184)185)155-104(183)63-149-128(212)99-19-12-49-174(99)135(219)96(58-103(140)182)169-125(209)95(61-109(192)193)168-130(214)102-22-15-50-175(102)134(218)87(16-8-9-44-138)160-127(211)98(65-177)171-131(215)101-21-14-48-173(101)133(217)81(139)53-72-23-31-77(178)32-24-72/h23-38,62,66-71,81-102,176-181H,8-22,39-61,63-65,138-139H2,1-7H3,(H2,140,182)(H2,141,194)(H,146,150)(H,149,212)(H,151,198)(H,152,210)(H,153,213)(H,154,203)(H,155,183)(H,156,195)(H,157,196)(H,158,204)(H,159,208)(H,160,211)(H,161,207)(H,162,197)(H,163,199)(H,164,205)(H,165,200)(H,166,201)(H,167,202)(H,168,214)(H,169,209)(H,170,206)(H,171,215)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H4,142,143,147)(H4,144,145,148)/t68-,69-,70-,71-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.10n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human neuropeptide Y2 receptor expressed in human SK-N-BE2 cells after 40 mins


Bioorg Med Chem Lett 20: 950-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.068
BindingDB Entry DOI: 10.7270/Q2V9886H
More data for this
Ligand-Target Pair
PPYR1


(HUMAN)
BDBM50309855
PNG
((3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-4-amino-2-((2...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)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
Show InChI InChI=1S/C57H90N16O13/c1-7-31(5)45(59)52(82)70-41(29-44(58)76)54(84)73-25-11-14-43(73)51(81)72-46(32(6)8-2)53(83)69-40(27-33-15-19-35(74)20-16-33)50(80)67-37(12-9-23-64-56(60)61)47(77)68-39(26-30(3)4)49(79)66-38(13-10-24-65-57(62)63)48(78)71-42(55(85)86)28-34-17-21-36(75)22-18-34/h15-22,30-32,37-43,45-46,74-75H,7-14,23-29,59H2,1-6H3,(H2,58,76)(H,66,79)(H,67,80)(H,68,77)(H,69,83)(H,70,82)(H,71,78)(H,72,81)(H,85,86)(H4,60,61,64)(H4,62,63,65)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]Pancreatic polypeptide from human neuropeptide Y4 receptor in human HEK293 cells after 40 mins


Bioorg Med Chem Lett 20: 950-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.068
BindingDB Entry DOI: 10.7270/Q2V9886H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50309860
PNG
((3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-4-amino-2-((2...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)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
Show InChI InChI=1S/C57H91N17O13/c1-5-32(4)46(60)53(84)72-42(30-45(59)77)54(85)74-26-10-14-44(74)52(83)69-37(11-6-7-23-58)47(78)71-41(28-33-15-19-35(75)20-16-33)51(82)68-38(12-8-24-65-56(61)62)48(79)70-40(27-31(2)3)50(81)67-39(13-9-25-66-57(63)64)49(80)73-43(55(86)87)29-34-17-21-36(76)22-18-34/h15-22,31-32,37-44,46,75-76H,5-14,23-30,58,60H2,1-4H3,(H2,59,77)(H,67,81)(H,68,82)(H,69,83)(H,70,79)(H,71,78)(H,72,84)(H,73,80)(H,86,87)(H4,61,62,65)(H4,63,64,66)/t32-,37-,38-,39-,40-,41-,42-,43-,44-,46-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from human neuropeptide Y1 receptor expressed in human MCF7 cells after 40 mins


Bioorg Med Chem Lett 20: 950-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.068
BindingDB Entry DOI: 10.7270/Q2V9886H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50309855
PNG
((3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-4-amino-2-((2...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)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
Show InChI InChI=1S/C57H90N16O13/c1-7-31(5)45(59)52(82)70-41(29-44(58)76)54(84)73-25-11-14-43(73)51(81)72-46(32(6)8-2)53(83)69-40(27-33-15-19-35(74)20-16-33)50(80)67-37(12-9-23-64-56(60)61)47(77)68-39(26-30(3)4)49(79)66-38(13-10-24-65-57(62)63)48(78)71-42(55(85)86)28-34-17-21-36(75)22-18-34/h15-22,30-32,37-43,45-46,74-75H,7-14,23-29,59H2,1-6H3,(H2,58,76)(H,66,79)(H,67,80)(H,68,77)(H,69,83)(H,70,82)(H,71,78)(H,72,81)(H,85,86)(H4,60,61,64)(H4,62,63,65)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11.3n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human neuropeptide Y2 receptor expressed in human SK-N-BE2 cells after 40 mins


Bioorg Med Chem Lett 20: 950-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.068
BindingDB Entry DOI: 10.7270/Q2V9886H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50309855
PNG
((3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-4-amino-2-((2...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)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
Show InChI InChI=1S/C57H90N16O13/c1-7-31(5)45(59)52(82)70-41(29-44(58)76)54(84)73-25-11-14-43(73)51(81)72-46(32(6)8-2)53(83)69-40(27-33-15-19-35(74)20-16-33)50(80)67-37(12-9-23-64-56(60)61)47(77)68-39(26-30(3)4)49(79)66-38(13-10-24-65-57(62)63)48(78)71-42(55(85)86)28-34-17-21-36(75)22-18-34/h15-22,30-32,37-43,45-46,74-75H,7-14,23-29,59H2,1-6H3,(H2,58,76)(H,66,79)(H,67,80)(H,68,77)(H,69,83)(H,70,82)(H,71,78)(H,72,81)(H,85,86)(H4,60,61,64)(H4,62,63,65)/t31-,32-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1
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39n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from human neuropeptide Y1 receptor expressed in human MCF7 cells after 40 mins


Bioorg Med Chem Lett 20: 950-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.068
BindingDB Entry DOI: 10.7270/Q2V9886H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50309857
PNG
(2,2',2''-(10-((6S,9S,12S,15S,18S)-1-amino-18-((S)-...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)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
Show InChI InChI=1S/C73H117N21O20/c1-5-44(4)62(75)69(111)88-54(38-57(74)97)70(112)94-26-10-14-56(94)68(110)85-49(11-6-7-23-80-58(98)39-90-27-29-91(40-59(99)100)31-33-93(42-61(103)104)34-32-92(30-28-90)41-60(101)102)63(105)87-53(36-45-15-19-47(95)20-16-45)67(109)84-50(12-8-24-81-72(76)77)64(106)86-52(35-43(2)3)66(108)83-51(13-9-25-82-73(78)79)65(107)89-55(71(113)114)37-46-17-21-48(96)22-18-46/h15-22,43-44,49-56,62,95-96H,5-14,23-42,75H2,1-4H3,(H2,74,97)(H,80,98)(H,83,108)(H,84,109)(H,85,110)(H,86,106)(H,87,105)(H,88,111)(H,89,107)(H,99,100)(H,101,102)(H,103,104)(H,113,114)(H4,76,77,81)(H4,78,79,82)/t44-,49-,50-,51-,52-,53-,54-,55-,56-,62-/m0/s1
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63n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from human neuropeptide Y1 receptor expressed in human MCF7 cells after 40 mins


Bioorg Med Chem Lett 20: 950-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.068
BindingDB Entry DOI: 10.7270/Q2V9886H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50309859
PNG
((3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-6-amino-2-((2...)
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]([C@@H](C)CC)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
Show InChI InChI=1S/C59H96N16O12/c1-7-34(5)47(61)54(83)70-42(14-9-10-26-60)56(85)75-29-13-17-46(75)53(82)74-48(35(6)8-2)55(84)72-44(31-36-18-22-38(76)23-19-36)52(81)69-40(15-11-27-66-58(62)63)49(78)71-43(30-33(3)4)51(80)68-41(16-12-28-67-59(64)65)50(79)73-45(57(86)87)32-37-20-24-39(77)25-21-37/h18-25,33-35,40-48,76-77H,7-17,26-32,60-61H2,1-6H3,(H,68,80)(H,69,81)(H,70,83)(H,71,78)(H,72,84)(H,73,79)(H,74,82)(H,86,87)(H4,62,63,66)(H4,64,65,67)/t34-,35-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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128n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from human neuropeptide Y1 receptor expressed in human MCF7 cells after 40 mins


Bioorg Med Chem Lett 20: 950-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.068
BindingDB Entry DOI: 10.7270/Q2V9886H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50309854
PNG
((3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-2-((2S,3S)-2-...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)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
Show InChI InChI=1S/C75H119N21O21/c1-6-45(4)64(84-46(5)97)71(114)90-56(39-59(76)100)72(115)96-27-11-15-58(96)70(113)87-51(12-7-8-24-81-60(101)40-92-28-30-93(41-61(102)103)32-34-95(43-63(106)107)35-33-94(31-29-92)42-62(104)105)65(108)89-55(37-47-16-20-49(98)21-17-47)69(112)86-52(13-9-25-82-74(77)78)66(109)88-54(36-44(2)3)68(111)85-53(14-10-26-83-75(79)80)67(110)91-57(73(116)117)38-48-18-22-50(99)23-19-48/h16-23,44-45,51-58,64,98-99H,6-15,24-43H2,1-5H3,(H2,76,100)(H,81,101)(H,84,97)(H,85,111)(H,86,112)(H,87,113)(H,88,109)(H,89,108)(H,90,114)(H,91,110)(H,102,103)(H,104,105)(H,106,107)(H,116,117)(H4,77,78,82)(H4,79,80,83)/t45-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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275n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from human neuropeptide Y1 receptor expressed in human MCF7 cells after 40 mins


Bioorg Med Chem Lett 20: 950-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.068
BindingDB Entry DOI: 10.7270/Q2V9886H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50309858
PNG
(8-{2-[4-({[(5S)-5-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amin...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CN1CCN(CC(=O)NCCCCCCCC(O)=O)CCN(CC(=O)NCCCCCCCC(O)=O)CCN(CC(=O)NCCCCCCCC(O)=O)CC1)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
Show InChI InChI=1S/C97H162N24O23/c1-5-65(4)86(99)93(141)115-75(59-78(98)124)94(142)121-47-25-29-77(121)92(140)112-70(87(135)114-74(57-66-33-37-68(122)38-34-66)91(139)111-71(27-23-45-108-96(100)101)88(136)113-73(56-64(2)3)90(138)110-72(28-24-46-109-97(102)103)89(137)116-76(95(143)144)58-67-35-39-69(123)40-36-67)26-18-22-44-107-82(128)63-120-54-52-118(61-80(126)105-42-20-13-7-10-16-31-84(131)132)50-48-117(60-79(125)104-41-19-12-6-9-15-30-83(129)130)49-51-119(53-55-120)62-81(127)106-43-21-14-8-11-17-32-85(133)134/h33-40,64-65,70-77,86,122-123H,5-32,41-63,99H2,1-4H3,(H2,98,124)(H,104,125)(H,105,126)(H,106,127)(H,107,128)(H,110,138)(H,111,139)(H,112,140)(H,113,136)(H,114,135)(H,115,141)(H,116,137)(H,129,130)(H,131,132)(H,133,134)(H,143,144)(H4,100,101,108)(H4,102,103,109)/t65-,70-,71-,72-,73-,74-,75-,76-,77-,86-/m0/s1
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4.51E+3n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]NPY from human neuropeptide Y1 receptor expressed in human MCF7 cells after 40 mins


Bioorg Med Chem Lett 20: 950-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.068
BindingDB Entry DOI: 10.7270/Q2V9886H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%