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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 2262.5
BDBM50046558

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

Found 2 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 2


(Homo sapiens (Human))
BDBM50046558
PNG
(CHEMBL266730 | Tyr-Pro-Ser-Lys-Pro-Gly-Arg-His-Tyr...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=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](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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(O)=O
Show InChI InChI=1S/C103H160N32O26/c1-8-54(5)81(95(155)128-73(48-79(107)142)89(149)125-70(43-53(3)4)90(150)132-82(55(6)9-2)96(156)133-83(56(7)137)97(157)123-67(20-14-40-117-103(112)113)85(145)122-68(35-36-78(106)141)87(147)121-66(19-13-39-116-102(110)111)86(146)129-74(100(160)161)46-59-27-33-63(140)34-28-59)131-91(151)71(45-58-25-31-62(139)32-26-58)126-88(148)72(47-60-49-114-52-119-60)127-84(144)65(18-12-38-115-101(108)109)120-80(143)50-118-93(153)76-21-15-42-135(76)99(159)69(17-10-11-37-104)124-92(152)75(51-136)130-94(154)77-22-16-41-134(77)98(158)64(105)44-57-23-29-61(138)30-24-57/h23-34,49,52-56,64-77,81-83,136-140H,8-22,35-48,50-51,104-105H2,1-7H3,(H2,106,141)(H2,107,142)(H,114,119)(H,118,153)(H,120,143)(H,121,147)(H,122,145)(H,123,157)(H,124,152)(H,125,149)(H,126,148)(H,127,144)(H,128,155)(H,129,146)(H,130,154)(H,131,151)(H,132,150)(H,133,156)(H,160,161)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t54-,55-,56+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,81-,82-,83-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y2 receptors using SK-N-BE2 human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50046558
PNG
(CHEMBL266730 | Tyr-Pro-Ser-Lys-Pro-Gly-Arg-His-Tyr...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=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](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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(O)=O
Show InChI InChI=1S/C103H160N32O26/c1-8-54(5)81(95(155)128-73(48-79(107)142)89(149)125-70(43-53(3)4)90(150)132-82(55(6)9-2)96(156)133-83(56(7)137)97(157)123-67(20-14-40-117-103(112)113)85(145)122-68(35-36-78(106)141)87(147)121-66(19-13-39-116-102(110)111)86(146)129-74(100(160)161)46-59-27-33-63(140)34-28-59)131-91(151)71(45-58-25-31-62(139)32-26-58)126-88(148)72(47-60-49-114-52-119-60)127-84(144)65(18-12-38-115-101(108)109)120-80(143)50-118-93(153)76-21-15-42-135(76)99(159)69(17-10-11-37-104)124-92(152)75(51-136)130-94(154)77-22-16-41-134(77)98(158)64(105)44-57-23-29-61(138)30-24-57/h23-34,49,52-56,64-77,81-83,136-140H,8-22,35-48,50-51,104-105H2,1-7H3,(H2,106,141)(H2,107,142)(H,114,119)(H,118,153)(H,120,143)(H,121,147)(H,122,145)(H,123,157)(H,124,152)(H,125,149)(H,126,148)(H,127,144)(H,128,155)(H,129,146)(H,130,154)(H,131,151)(H,132,150)(H,133,156)(H,160,161)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t54-,55-,56+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,81-,82-,83-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
160n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y1 receptors using SK-N-MC human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair