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BDBM50046559 CHEMBL427974::Tyr-c(Asp-Ser-Lys-Pro-(D-Ala)-Arg-His-(D-Lys))-Ile-Asn-Leu-Ile-Thr-Arg-Gln-Arg-Tyr

SMILES: CC[C@@H](C)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N1)[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

InChI Key: InChIKey=HYEQVAADMZTYFM-QXALLVAHSA-N

Data: 2 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 2 hits for monomerid = 50046559   
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 2


(Homo sapiens (Human))
BDBM50046559
PNG
(CHEMBL427974 | Tyr-c(Asp-Ser-Lys-Pro-(D-Ala)-Arg-H...)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N1)[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/C100H161N33O26/c1-9-51(5)77(93(154)127-69(45-75(104)139)88(149)125-67(41-50(3)4)90(151)131-78(52(6)10-2)94(155)132-79(54(8)135)95(156)122-64(23-17-39-115-100(109)110)82(143)121-65(33-34-74(103)138)85(146)119-63(22-16-38-114-99(107)108)84(145)128-71(97(158)159)43-56-27-31-59(137)32-28-56)130-86(147)61-19-12-14-36-112-76(140)46-70(124-81(142)60(102)42-55-25-29-58(136)30-26-55)89(150)129-72(48-134)91(152)123-66(20-11-13-35-101)96(157)133-40-18-24-73(133)92(153)117-53(7)80(141)118-62(21-15-37-113-98(105)106)83(144)126-68(87(148)120-61)44-57-47-111-49-116-57/h25-32,47,49-54,60-73,77-79,134-137H,9-24,33-46,48,101-102H2,1-8H3,(H2,103,138)(H2,104,139)(H,111,116)(H,112,140)(H,117,153)(H,118,141)(H,119,146)(H,120,148)(H,121,143)(H,122,156)(H,123,152)(H,124,142)(H,125,149)(H,126,144)(H,127,154)(H,128,145)(H,129,150)(H,130,147)(H,131,151)(H,132,155)(H,158,159)(H4,105,106,113)(H4,107,108,114)(H4,109,110,115)/t51-,52-,53+,54+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70+,71-,72+,73+,77-,78-,79-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.5n/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))
BDBM50046559
PNG
(CHEMBL427974 | Tyr-c(Asp-Ser-Lys-Pro-(D-Ala)-Arg-H...)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N1)[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/C100H161N33O26/c1-9-51(5)77(93(154)127-69(45-75(104)139)88(149)125-67(41-50(3)4)90(151)131-78(52(6)10-2)94(155)132-79(54(8)135)95(156)122-64(23-17-39-115-100(109)110)82(143)121-65(33-34-74(103)138)85(146)119-63(22-16-38-114-99(107)108)84(145)128-71(97(158)159)43-56-27-31-59(137)32-28-56)130-86(147)61-19-12-14-36-112-76(140)46-70(124-81(142)60(102)42-55-25-29-58(136)30-26-55)89(150)129-72(48-134)91(152)123-66(20-11-13-35-101)96(157)133-40-18-24-73(133)92(153)117-53(7)80(141)118-62(21-15-37-113-98(105)106)83(144)126-68(87(148)120-61)44-57-47-111-49-116-57/h25-32,47,49-54,60-73,77-79,134-137H,9-24,33-46,48,101-102H2,1-8H3,(H2,103,138)(H2,104,139)(H,111,116)(H,112,140)(H,117,153)(H,118,141)(H,119,146)(H,120,148)(H,121,143)(H,122,156)(H,123,152)(H,124,142)(H,125,149)(H,126,144)(H,127,154)(H,128,145)(H,129,150)(H,130,147)(H,131,151)(H,132,155)(H,158,159)(H4,105,106,113)(H4,107,108,114)(H4,109,110,115)/t51-,52-,53+,54+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70+,71-,72+,73+,77-,78-,79-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+3n/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