BindingDB logo
myBDB logout

BDBM50099201 CHEMBL413455::Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-(CH2-NH)-Tyr-NH2Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-(CH2-NH)-Tyr-NH2

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](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(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)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=LUFYXHLIXORPDM-NQONCEBISA-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 = 50099201   
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))		BDBM50099201
PNG
(CHEMBL413455 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-(CH...)
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](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(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)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/C108H172N34O22S2/c1-9-59(7)87(111)101(161)137-79(51-85(109)147)103(163)141-43-15-21-83(141)99(159)139-81(97(157)135-77(49-63-27-35-69(145)36-28-63)95(155)131-71(19-13-41-125-107(119)120)91(151)133-75(45-57(3)4)93(153)129-65(17-11-39-123-105(115)116)53-127-73(89(113)149)47-61-23-31-67(143)32-24-61)55-165-166-56-82(140-100(160)84-22-16-44-142(84)104(164)80(52-86(110)148)138-102(162)88(112)60(8)10-2)98(158)136-78(50-64-29-37-70(146)38-30-64)96(156)132-72(20-14-42-126-108(121)122)92(152)134-76(46-58(5)6)94(154)130-66(18-12-40-124-106(117)118)54-128-74(90(114)150)48-62-25-33-68(144)34-26-62/h23-38,57-60,65-66,71-84,87-88,127-128,143-146H,9-22,39-56,111-112H2,1-8H3,(H2,109,147)(H2,110,148)(H2,113,149)(H2,114,150)(H,129,153)(H,130,154)(H,131,155)(H,132,156)(H,133,151)(H,134,152)(H,135,157)(H,136,158)(H,137,161)(H,138,162)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
 2.30n/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))		BDBM50099201
PNG
(CHEMBL413455 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-(CH...)
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](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(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)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/C108H172N34O22S2/c1-9-59(7)87(111)101(161)137-79(51-85(109)147)103(163)141-43-15-21-83(141)99(159)139-81(97(157)135-77(49-63-27-35-69(145)36-28-63)95(155)131-71(19-13-41-125-107(119)120)91(151)133-75(45-57(3)4)93(153)129-65(17-11-39-123-105(115)116)53-127-73(89(113)149)47-61-23-31-67(143)32-24-61)55-165-166-56-82(140-100(160)84-22-16-44-142(84)104(164)80(52-86(110)148)138-102(162)88(112)60(8)10-2)98(158)136-78(50-64-29-37-70(146)38-30-64)96(156)132-72(20-14-42-126-108(121)122)92(152)134-76(46-58(5)6)94(154)130-66(18-12-40-124-106(117)118)54-128-74(90(114)150)48-62-25-33-68(144)34-26-62/h23-38,57-60,65-66,71-84,87-88,127-128,143-146H,9-22,39-56,111-112H2,1-8H3,(H2,109,147)(H2,110,148)(H2,113,149)(H2,114,150)(H,129,153)(H,130,154)(H,131,155)(H,132,156)(H,133,151)(H,134,152)(H,135,157)(H,136,158)(H,137,161)(H,138,162)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
 65n/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))		BDBM50099201
PNG
(CHEMBL413455 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-(CH...)
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](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(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)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/C108H172N34O22S2/c1-9-59(7)87(111)101(161)137-79(51-85(109)147)103(163)141-43-15-21-83(141)99(159)139-81(97(157)135-77(49-63-27-35-69(145)36-28-63)95(155)131-71(19-13-41-125-107(119)120)91(151)133-75(45-57(3)4)93(153)129-65(17-11-39-123-105(115)116)53-127-73(89(113)149)47-61-23-31-67(143)32-24-61)55-165-166-56-82(140-100(160)84-22-16-44-142(84)104(164)80(52-86(110)148)138-102(162)88(112)60(8)10-2)98(158)136-78(50-64-29-37-70(146)38-30-64)96(156)132-72(20-14-42-126-108(121)122)92(152)134-76(46-58(5)6)94(154)130-66(18-12-40-124-106(117)118)54-128-74(90(114)150)48-62-25-33-68(144)34-26-62/h23-38,57-60,65-66,71-84,87-88,127-128,143-146H,9-22,39-56,111-112H2,1-8H3,(H2,109,147)(H2,110,148)(H2,113,149)(H2,114,150)(H,129,153)(H,130,154)(H,131,155)(H,132,156)(H,133,151)(H,134,152)(H,135,157)(H,136,158)(H,137,161)(H,138,162)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
 822n/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))		BDBM50099201
PNG
(CHEMBL413455 | Ile-Asn-Pro-Cys-Tyr-Arg-Leu-Arg-(CH...)
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](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(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)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/C108H172N34O22S2/c1-9-59(7)87(111)101(161)137-79(51-85(109)147)103(163)141-43-15-21-83(141)99(159)139-81(97(157)135-77(49-63-27-35-69(145)36-28-63)95(155)131-71(19-13-41-125-107(119)120)91(151)133-75(45-57(3)4)93(153)129-65(17-11-39-123-105(115)116)53-127-73(89(113)149)47-61-23-31-67(143)32-24-61)55-165-166-56-82(140-100(160)84-22-16-44-142(84)104(164)80(52-86(110)148)138-102(162)88(112)60(8)10-2)98(158)136-78(50-64-29-37-70(146)38-30-64)96(156)132-72(20-14-42-126-108(121)122)92(152)134-76(46-58(5)6)94(154)130-66(18-12-40-124-106(117)118)54-128-74(90(114)150)48-62-25-33-68(144)34-26-62/h23-38,57-60,65-66,71-84,87-88,127-128,143-146H,9-22,39-56,111-112H2,1-8H3,(H2,109,147)(H2,110,148)(H2,113,149)(H2,114,150)(H,129,153)(H,130,154)(H,131,155)(H,132,156)(H,133,151)(H,134,152)(H,135,157)(H,136,158)(H,137,161)(H,138,162)(H,139,159)(H,140,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
 2.34E+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