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BDBM50099200 CHEMBL410166::Ile-Glu-Pro-Dpr-Tyr-Arg-Leu-Arg-(CH2-NH)-Tyr-NH2Ile-Glu-Pro-Dpr-Tyr-Arg-Leu-Arg-(CH2-NH)-Tyr-NH2

SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=QLURDGGBKPAJIO-PDXFEYFSSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50099200   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50099200
PNG
(CHEMBL410166 | Ile-Glu-Pro-Dpr-Tyr-Arg-Leu-Arg-(CH...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C110H174N34O22/c1-9-61(7)89(111)103(163)135-75-39-41-87(149)129-57-83(99(159)139-81(53-65-27-35-71(147)36-28-65)97(157)133-73(19-13-45-125-109(119)120)93(153)137-79(49-59(3)4)95(155)131-67(17-11-43-123-107(115)116)55-127-77(91(113)151)51-63-23-31-69(145)32-24-63)142-102(162)86-22-16-48-144(86)106(166)76(136-104(164)90(112)62(8)10-2)40-42-88(150)130-58-84(141-101(161)85-21-15-47-143(85)105(75)165)100(160)140-82(54-66-29-37-72(148)38-30-66)98(158)134-74(20-14-46-126-110(121)122)94(154)138-80(50-60(5)6)96(156)132-68(18-12-44-124-108(117)118)56-128-78(92(114)152)52-64-25-33-70(146)34-26-64/h23-38,59-62,67-68,73-86,89-90,127-128,145-148H,9-22,39-58,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,129,149)(H,130,150)(H,131,155)(H,132,156)(H,133,157)(H,134,158)(H,135,163)(H,136,164)(H,137,153)(H,138,154)(H,139,159)(H,140,160)(H,141,161)(H,142,162)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t61-,62-,67-,68-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,89-,90-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.460n/an/an/an/an/an/an/an/a



University of Cincinnati and VA Medical Centers

Curated by ChEMBL


Assay Description
Affinity for cloned Y1 receptor using [125I]-PYY as radioligand

J Med Chem 44: 1479-82 (2001)


BindingDB Entry DOI: 10.7270/Q2RJ4HRJ
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))		BDBM50099200
PNG
(CHEMBL410166 | Ile-Glu-Pro-Dpr-Tyr-Arg-Leu-Arg-(CH...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C110H174N34O22/c1-9-61(7)89(111)103(163)135-75-39-41-87(149)129-57-83(99(159)139-81(53-65-27-35-71(147)36-28-65)97(157)133-73(19-13-45-125-109(119)120)93(153)137-79(49-59(3)4)95(155)131-67(17-11-43-123-107(115)116)55-127-77(91(113)151)51-63-23-31-69(145)32-24-63)142-102(162)86-22-16-48-144(86)106(166)76(136-104(164)90(112)62(8)10-2)40-42-88(150)130-58-84(141-101(161)85-21-15-47-143(85)105(75)165)100(160)140-82(54-66-29-37-72(148)38-30-66)98(158)134-74(20-14-46-126-110(121)122)94(154)138-80(50-60(5)6)96(156)132-68(18-12-44-124-108(117)118)56-128-78(92(114)152)52-64-25-33-70(146)34-26-64/h23-38,59-62,67-68,73-86,89-90,127-128,145-148H,9-22,39-58,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,129,149)(H,130,150)(H,131,155)(H,132,156)(H,133,157)(H,134,158)(H,135,163)(H,136,164)(H,137,153)(H,138,154)(H,139,159)(H,140,160)(H,141,161)(H,142,162)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t61-,62-,67-,68-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,89-,90-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 65.5n/an/an/an/an/an/an/an/a



University of Cincinnati and VA Medical Centers

Curated by ChEMBL


Assay Description
Affinity for cloned Y4 receptor using [125I]-PP as radioligand

J Med Chem 44: 1479-82 (2001)


BindingDB Entry DOI: 10.7270/Q2RJ4HRJ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50099200
PNG
(CHEMBL410166 | Ile-Glu-Pro-Dpr-Tyr-Arg-Leu-Arg-(CH...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C110H174N34O22/c1-9-61(7)89(111)103(163)135-75-39-41-87(149)129-57-83(99(159)139-81(53-65-27-35-71(147)36-28-65)97(157)133-73(19-13-45-125-109(119)120)93(153)137-79(49-59(3)4)95(155)131-67(17-11-43-123-107(115)116)55-127-77(91(113)151)51-63-23-31-69(145)32-24-63)142-102(162)86-22-16-48-144(86)106(166)76(136-104(164)90(112)62(8)10-2)40-42-88(150)130-58-84(141-101(161)85-21-15-47-143(85)105(75)165)100(160)140-82(54-66-29-37-72(148)38-30-66)98(158)134-74(20-14-46-126-110(121)122)94(154)138-80(50-60(5)6)96(156)132-68(18-12-44-124-108(117)118)56-128-78(92(114)152)52-64-25-33-70(146)34-26-64/h23-38,59-62,67-68,73-86,89-90,127-128,145-148H,9-22,39-58,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,129,149)(H,130,150)(H,131,155)(H,132,156)(H,133,157)(H,134,158)(H,135,163)(H,136,164)(H,137,153)(H,138,154)(H,139,159)(H,140,160)(H,141,161)(H,142,162)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t61-,62-,67-,68-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,89-,90-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 624n/an/an/an/an/an/an/an/a



University of Cincinnati and VA Medical Centers

Curated by ChEMBL


Assay Description
Affinity for cloned Y2 receptor using [125I]-PYY as radioligand

J Med Chem 44: 1479-82 (2001)


BindingDB Entry DOI: 10.7270/Q2RJ4HRJ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))		BDBM50099200
PNG
(CHEMBL410166 | Ile-Glu-Pro-Dpr-Tyr-Arg-Leu-Arg-(CH...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C110H174N34O22/c1-9-61(7)89(111)103(163)135-75-39-41-87(149)129-57-83(99(159)139-81(53-65-27-35-71(147)36-28-65)97(157)133-73(19-13-45-125-109(119)120)93(153)137-79(49-59(3)4)95(155)131-67(17-11-43-123-107(115)116)55-127-77(91(113)151)51-63-23-31-69(145)32-24-63)142-102(162)86-22-16-48-144(86)106(166)76(136-104(164)90(112)62(8)10-2)40-42-88(150)130-58-84(141-101(161)85-21-15-47-143(85)105(75)165)100(160)140-82(54-66-29-37-72(148)38-30-66)98(158)134-74(20-14-46-126-110(121)122)94(154)138-80(50-60(5)6)96(156)132-68(18-12-44-124-108(117)118)56-128-78(92(114)152)52-64-25-33-70(146)34-26-64/h23-38,59-62,67-68,73-86,89-90,127-128,145-148H,9-22,39-58,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,129,149)(H,130,150)(H,131,155)(H,132,156)(H,133,157)(H,134,158)(H,135,163)(H,136,164)(H,137,153)(H,138,154)(H,139,159)(H,140,160)(H,141,161)(H,142,162)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t61-,62-,67-,68-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,89-,90-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 7.89E+3n/an/an/an/an/an/an/an/a



University of Cincinnati and VA Medical Centers

Curated by ChEMBL


Assay Description
Affinity for cloned Y5 receptor using [125I]-PYY as radioligand

J Med Chem 44: 1479-82 (2001)


BindingDB Entry DOI: 10.7270/Q2RJ4HRJ
More data for this
Ligand-Target Pair