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BDBM50281778 Ac-RHYIN-(Cha)-ITRQRY::CHEMBL415176

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(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C1CCCCC1)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

InChI Key: InChIKey=ODDKZVGUSWSOTF-ORAXJMLRSA-N

Data: 3 IC50

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 3 hits for monomerid = 50281778   
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))
BDBM50281778
PNG
(Ac-RHYIN-(Cha)-ITRQRY | CHEMBL415176)
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(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C1CCCCC1)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/C77H121N25O19/c1-7-39(3)59(99-68(114)53(33-43-20-24-47(105)25-21-43)95-67(113)54(35-46-37-86-38-90-46)96-63(109)49(91-42(6)104)17-12-30-87-75(80)81)70(116)97-55(36-58(79)108)69(115)102-62(45-15-10-9-11-16-45)73(119)100-60(40(4)8-2)71(117)101-61(41(5)103)72(118)94-51(19-14-32-89-77(84)85)64(110)93-52(28-29-57(78)107)66(112)92-50(18-13-31-88-76(82)83)65(111)98-56(74(120)121)34-44-22-26-48(106)27-23-44/h20-27,37-41,45,49-56,59-62,103,105-106H,7-19,28-36H2,1-6H3,(H2,78,107)(H2,79,108)(H,86,90)(H,91,104)(H,92,112)(H,93,110)(H,94,118)(H,95,113)(H,96,109)(H,97,116)(H,98,111)(H,99,114)(H,100,119)(H,101,117)(H,102,115)(H,120,121)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t39-,40-,41+,49-,50-,51-,52-,53-,54-,55-,56-,59-,60-,61-,62-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Y2 receptor of rabbit kidney membrane


Bioorg Med Chem Lett 3: 937-942 (1993)


Article DOI: 10.1016/S0960-894X(00)80696-4
BindingDB Entry DOI: 10.7270/Q2H9954N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50281778
PNG
(Ac-RHYIN-(Cha)-ITRQRY | CHEMBL415176)
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(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C1CCCCC1)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/C77H121N25O19/c1-7-39(3)59(99-68(114)53(33-43-20-24-47(105)25-21-43)95-67(113)54(35-46-37-86-38-90-46)96-63(109)49(91-42(6)104)17-12-30-87-75(80)81)70(116)97-55(36-58(79)108)69(115)102-62(45-15-10-9-11-16-45)73(119)100-60(40(4)8-2)71(117)101-61(41(5)103)72(118)94-51(19-14-32-89-77(84)85)64(110)93-52(28-29-57(78)107)66(112)92-50(18-13-31-88-76(82)83)65(111)98-56(74(120)121)34-44-22-26-48(106)27-23-44/h20-27,37-41,45,49-56,59-62,103,105-106H,7-19,28-36H2,1-6H3,(H2,78,107)(H2,79,108)(H,86,90)(H,91,104)(H,92,112)(H,93,110)(H,94,118)(H,95,113)(H,96,109)(H,97,116)(H,98,111)(H,99,114)(H,100,119)(H,101,117)(H,102,115)(H,120,121)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t39-,40-,41+,49-,50-,51-,52-,53-,54-,55-,56-,59-,60-,61-,62-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human neuropeptide Y2 receptor expressing LN319 cells


Bioorg Med Chem Lett 3: 937-942 (1993)


Article DOI: 10.1016/S0960-894X(00)80696-4
BindingDB Entry DOI: 10.7270/Q2H9954N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50281778
PNG
(Ac-RHYIN-(Cha)-ITRQRY | CHEMBL415176)
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(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C1CCCCC1)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/C77H121N25O19/c1-7-39(3)59(99-68(114)53(33-43-20-24-47(105)25-21-43)95-67(113)54(35-46-37-86-38-90-46)96-63(109)49(91-42(6)104)17-12-30-87-75(80)81)70(116)97-55(36-58(79)108)69(115)102-62(45-15-10-9-11-16-45)73(119)100-60(40(4)8-2)71(117)101-61(41(5)103)72(118)94-51(19-14-32-89-77(84)85)64(110)93-52(28-29-57(78)107)66(112)92-50(18-13-31-88-76(82)83)65(111)98-56(74(120)121)34-44-22-26-48(106)27-23-44/h20-27,37-41,45,49-56,59-62,103,105-106H,7-19,28-36H2,1-6H3,(H2,78,107)(H2,79,108)(H,86,90)(H,91,104)(H,92,112)(H,93,110)(H,94,118)(H,95,113)(H,96,109)(H,97,116)(H,98,111)(H,99,114)(H,100,119)(H,101,117)(H,102,115)(H,120,121)(H4,80,81,87)(H4,82,83,88)(H4,84,85,89)/t39-,40-,41+,49-,50-,51-,52-,53-,54-,55-,56-,59-,60-,61-,62-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 4.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human neuropeptide Y1 receptor expressing SK-N-MC cells


Bioorg Med Chem Lett 3: 937-942 (1993)


Article DOI: 10.1016/S0960-894X(00)80696-4
BindingDB Entry DOI: 10.7270/Q2H9954N
More data for this
Ligand-Target Pair