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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 3537.9
BDBM50003049

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))
BDBM50003049
PNG
(CHEMBL3559527 | Tyr-Pro-Ser-Lys-Pro-Ala-Asn-Pro-Gl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=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](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(N)=O
Show InChI InChI=1S/C163H248N48O42/c1-15-84(7)128(152(246)200-114(75-125(167)221)141(235)194-110(68-83(5)6)143(237)205-129(85(8)16-2)153(247)206-130(89(12)214)154(248)190-104(30-21-61-181-162(174)175)134(228)189-105(56-57-124(166)220)137(231)187-102(28-19-59-179-160(170)171)135(229)193-108(131(169)225)70-91-38-48-97(216)49-39-91)204-144(238)112(72-93-42-52-99(218)53-43-93)195-140(234)113(74-95-78-178-81-183-95)196-136(230)103(29-20-60-180-161(172)173)188-138(232)109(67-82(3)4)197-148(242)120-33-23-63-208(120)155(249)88(11)186-145(239)117(79-212)202-139(233)111(71-92-40-50-98(217)51-41-92)198-150(244)122(73-94-44-54-100(219)55-45-94)207(13)156(250)106(31-22-62-182-163(176)177)191-133(227)87(10)184-132(226)86(9)185-147(241)119-32-24-65-210(119)158(252)116(76-126(168)222)201-142(236)115(77-127(223)224)199-149(243)121-34-25-64-209(121)157(251)107(27-17-18-58-164)192-146(240)118(80-213)203-151(245)123-35-26-66-211(123,14)159(253)101(165)69-90-36-46-96(215)47-37-90/h36-55,78,81-89,101-123,128-130,212-214H,15-35,56-77,79-80,164-165H2,1-14H3,(H53-,166,167,168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,206,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,248)/p+1/t84-,85-,86-,87-,88-,89+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,128-,129-,130-,211?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 0.900n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of l25I-PYY from Neuropeptide Y receptor type 2 of human neuroblastoma SK-N-BE cells


J Med Chem 35: 3653-9 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ2BK9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50003049
PNG
(CHEMBL3559527 | Tyr-Pro-Ser-Lys-Pro-Ala-Asn-Pro-Gl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=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](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(N)=O
Show InChI InChI=1S/C163H248N48O42/c1-15-84(7)128(152(246)200-114(75-125(167)221)141(235)194-110(68-83(5)6)143(237)205-129(85(8)16-2)153(247)206-130(89(12)214)154(248)190-104(30-21-61-181-162(174)175)134(228)189-105(56-57-124(166)220)137(231)187-102(28-19-59-179-160(170)171)135(229)193-108(131(169)225)70-91-38-48-97(216)49-39-91)204-144(238)112(72-93-42-52-99(218)53-43-93)195-140(234)113(74-95-78-178-81-183-95)196-136(230)103(29-20-60-180-161(172)173)188-138(232)109(67-82(3)4)197-148(242)120-33-23-63-208(120)155(249)88(11)186-145(239)117(79-212)202-139(233)111(71-92-40-50-98(217)51-41-92)198-150(244)122(73-94-44-54-100(219)55-45-94)207(13)156(250)106(31-22-62-182-163(176)177)191-133(227)87(10)184-132(226)86(9)185-147(241)119-32-24-65-210(119)158(252)116(76-126(168)222)201-142(236)115(77-127(223)224)199-149(243)121-34-25-64-209(121)157(251)107(27-17-18-58-164)192-146(240)118(80-213)203-151(245)123-35-26-66-211(123,14)159(253)101(165)69-90-36-46-96(215)47-37-90/h36-55,78,81-89,101-123,128-130,212-214H,15-35,56-77,79-80,164-165H2,1-14H3,(H53-,166,167,168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,206,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,248)/p+1/t84-,85-,86-,87-,88-,89+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,128-,129-,130-,211?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 100n/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Displacement of l25I-PYY from Neuropeptide Y receptor type 1 of human neuroblastoma SK-N-MC cells


J Med Chem 35: 3653-9 (1992)


BindingDB Entry DOI: 10.7270/Q2QZ2BK9
More data for this
Ligand-Target Pair