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Compile Data Set for Download or QSAR

Found 199 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide S receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide S receptor


(Mus musculus)
BDBM50477899
PNG
(CHEMBL438162)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H154BrN31O28S/c1-47(2)72(123-70(134)42-107-77(138)64(40-68(100)132)120-80(141)59(24-17-36-106-93(103)104)116-85(146)62(118-76(137)54(98)44-126)39-52-25-27-53(94)28-26-52)88(149)108-43-71(135)124-73(49(4)129)89(150)109-41-69(133)111-61(31-37-154-6)83(144)113-56(21-11-14-33-96)79(140)114-57(22-12-15-34-97)84(145)125-74(50(5)130)90(151)121-65(45-127)87(148)119-63(38-51-18-8-7-9-19-51)86(147)117-60(29-30-67(99)131)82(143)115-58(23-16-35-105-92(101)102)78(139)110-48(3)75(136)112-55(20-10-13-32-95)81(142)122-66(46-128)91(152)153/h7-9,18-19,25-28,47-50,54-66,72-74,126-130H,10-17,20-24,29-46,95-98H2,1-6H3,(H2,99,131)(H2,100,132)(H,107,138)(H,108,149)(H,109,150)(H,110,139)(H,111,133)(H,112,136)(H,113,144)(H,114,140)(H,115,143)(H,116,146)(H,117,147)(H,118,137)(H,119,148)(H,120,141)(H,121,151)(H,122,142)(H,123,134)(H,124,135)(H,125,145)(H,152,153)(H4,101,102,105)(H4,103,104,106)/t48-,49+,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.646n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50412707
PNG
(CHEMBL230333)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H155N31O28S/c1-48(2)72(122-70(133)43-106-77(137)64(41-68(99)131)119-80(140)59(29-20-37-105-93(102)103)115-85(145)62(117-76(136)54(97)45-125)39-52-21-9-7-10-22-52)88(148)107-44-71(134)123-73(50(4)128)89(149)108-42-69(132)110-61(32-38-153-6)83(143)112-56(26-14-17-34-95)79(139)113-57(27-15-18-35-96)84(144)124-74(51(5)129)90(150)120-65(46-126)87(147)118-63(40-53-23-11-8-12-24-53)86(146)116-60(30-31-67(98)130)82(142)114-58(28-19-36-104-92(100)101)78(138)109-49(3)75(135)111-55(25-13-16-33-94)81(141)121-66(47-127)91(151)152/h7-12,21-24,48-51,54-66,72-74,125-129H,13-20,25-47,94-97H2,1-6H3,(H2,98,130)(H2,99,131)(H,106,137)(H,107,148)(H,108,149)(H,109,138)(H,110,132)(H,111,135)(H,112,143)(H,113,139)(H,114,142)(H,115,145)(H,116,146)(H,117,136)(H,118,147)(H,119,140)(H,120,150)(H,121,141)(H,122,133)(H,123,134)(H,124,144)(H,151,152)(H4,100,101,104)(H4,102,103,105)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.676n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human NPSR Ile107 expressed in HEK293 cells assessed as induction of calcium mobilization after 30 mins


J Med Chem 54: 2738-44 (2011)


Article DOI: 10.1021/jm200138r
BindingDB Entry DOI: 10.7270/Q2TQ62R8
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477901
PNG
(CHEMBL437201)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C94H157N31O28S/c1-48(2)73(123-71(134)43-107-78(138)65(41-69(100)132)120-81(141)60(25-18-37-106-94(103)104)116-86(146)63(118-77(137)55(98)45-126)40-54-28-26-49(3)27-29-54)89(149)108-44-72(135)124-74(51(5)129)90(150)109-42-70(133)111-62(32-38-154-7)84(144)113-57(22-12-15-34-96)80(140)114-58(23-13-16-35-97)85(145)125-75(52(6)130)91(151)121-66(46-127)88(148)119-64(39-53-19-9-8-10-20-53)87(147)117-61(30-31-68(99)131)83(143)115-59(24-17-36-105-93(101)102)79(139)110-50(4)76(136)112-56(21-11-14-33-95)82(142)122-67(47-128)92(152)153/h8-10,19-20,26-29,48,50-52,55-67,73-75,126-130H,11-18,21-25,30-47,95-98H2,1-7H3,(H2,99,131)(H2,100,132)(H,107,138)(H,108,149)(H,109,150)(H,110,139)(H,111,133)(H,112,136)(H,113,144)(H,114,140)(H,115,143)(H,116,146)(H,117,147)(H,118,137)(H,119,148)(H,120,141)(H,121,151)(H,122,142)(H,123,134)(H,124,135)(H,125,145)(H,152,153)(H4,101,102,105)(H4,103,104,106)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.676n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477898
PNG
(CHEMBL441576)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H154ClN31O28S/c1-47(2)72(123-70(134)42-107-77(138)64(40-68(100)132)120-80(141)59(24-17-36-106-93(103)104)116-85(146)62(118-76(137)54(98)44-126)39-52-25-27-53(94)28-26-52)88(149)108-43-71(135)124-73(49(4)129)89(150)109-41-69(133)111-61(31-37-154-6)83(144)113-56(21-11-14-33-96)79(140)114-57(22-12-15-34-97)84(145)125-74(50(5)130)90(151)121-65(45-127)87(148)119-63(38-51-18-8-7-9-19-51)86(147)117-60(29-30-67(99)131)82(143)115-58(23-16-35-105-92(101)102)78(139)110-48(3)75(136)112-55(20-10-13-32-95)81(142)122-66(46-128)91(152)153/h7-9,18-19,25-28,47-50,54-66,72-74,126-130H,10-17,20-24,29-46,95-98H2,1-6H3,(H2,99,131)(H2,100,132)(H,107,138)(H,108,149)(H,109,150)(H,110,139)(H,111,133)(H,112,136)(H,113,144)(H,114,140)(H,115,143)(H,116,146)(H,117,147)(H,118,137)(H,119,148)(H,120,141)(H,121,151)(H,122,142)(H,123,134)(H,124,135)(H,125,145)(H,152,153)(H4,101,102,105)(H4,103,104,106)/t48-,49+,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.708n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens (Human))
BDBM50412707
PNG
(CHEMBL230333)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H155N31O28S/c1-48(2)72(122-70(133)43-106-77(137)64(41-68(99)131)119-80(140)59(29-20-37-105-93(102)103)115-85(145)62(117-76(136)54(97)45-125)39-52-21-9-7-10-22-52)88(148)107-44-71(134)123-73(50(4)128)89(149)108-42-69(132)110-61(32-38-153-6)83(143)112-56(26-14-17-34-95)79(139)113-57(27-15-18-35-96)84(144)124-74(51(5)129)90(150)120-65(46-126)87(147)118-63(40-53-23-11-8-12-24-53)86(146)116-60(30-31-67(98)130)82(142)114-58(28-19-36-104-92(100)101)78(138)109-49(3)75(135)111-55(25-13-16-33-94)81(141)121-66(47-127)91(151)152/h7-12,21-24,48-51,54-66,72-74,125-129H,13-20,25-47,94-97H2,1-6H3,(H2,98,130)(H2,99,131)(H,106,137)(H,107,148)(H,108,149)(H,109,138)(H,110,132)(H,111,135)(H,112,143)(H,113,139)(H,114,142)(H,115,145)(H,116,146)(H,117,136)(H,118,147)(H,119,140)(H,120,150)(H,121,141)(H,122,133)(H,123,134)(H,124,144)(H,151,152)(H4,100,101,104)(H4,102,103,105)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.851n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human NPSR Asn107 expressed in HEK293 cells assessed as induction of calcium mobilization after 30 mins


J Med Chem 54: 2738-44 (2011)


Article DOI: 10.1021/jm200138r
BindingDB Entry DOI: 10.7270/Q2TQ62R8
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50418333
PNG
(CHEMBL1765705)
Show SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C93H156N34O27/c1-48(2)72(126-71(136)44-109-77(140)64(41-68(99)133)124-83(146)60(30-20-38-108-93(104)105)120-85(148)62(122-76(139)54(97)45-128)39-52-21-8-6-9-22-52)88(151)111-43-70(135)114-65(46-129)78(141)110-42-69(134)112-49(3)74(137)115-55(25-12-15-33-94)80(143)117-57(27-14-17-35-96)84(147)127-73(51(5)131)89(152)125-66(47-130)87(150)123-63(40-53-23-10-7-11-24-53)86(149)119-59(29-19-37-107-92(102)103)81(144)118-58(28-18-36-106-91(100)101)79(142)113-50(4)75(138)116-56(26-13-16-34-95)82(145)121-61(90(153)154)31-32-67(98)132/h6-11,21-24,48-51,54-66,72-73,128-131H,12-20,25-47,94-97H2,1-5H3,(H2,98,132)(H2,99,133)(H,109,140)(H,110,141)(H,111,151)(H,112,134)(H,113,142)(H,114,135)(H,115,137)(H,116,138)(H,117,143)(H,118,144)(H,119,149)(H,120,148)(H,121,145)(H,122,139)(H,123,150)(H,124,146)(H,125,152)(H,126,136)(H,127,147)(H,153,154)(H4,100,101,106)(H4,102,103,107)(H4,104,105,108)/t49-,50-,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.07n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as induction of calcium mobilization after 30 mins


J Med Chem 54: 2738-44 (2011)


Article DOI: 10.1021/jm200138r
BindingDB Entry DOI: 10.7270/Q2TQ62R8
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477880
PNG
(CHEMBL430024)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H154FN31O28S/c1-47(2)72(123-70(134)42-107-77(138)64(40-68(100)132)120-80(141)59(24-17-36-106-93(103)104)116-85(146)62(118-76(137)54(98)44-126)39-52-25-27-53(94)28-26-52)88(149)108-43-71(135)124-73(49(4)129)89(150)109-41-69(133)111-61(31-37-154-6)83(144)113-56(21-11-14-33-96)79(140)114-57(22-12-15-34-97)84(145)125-74(50(5)130)90(151)121-65(45-127)87(148)119-63(38-51-18-8-7-9-19-51)86(147)117-60(29-30-67(99)131)82(143)115-58(23-16-35-105-92(101)102)78(139)110-48(3)75(136)112-55(20-10-13-32-95)81(142)122-66(46-128)91(152)153/h7-9,18-19,25-28,47-50,54-66,72-74,126-130H,10-17,20-24,29-46,95-98H2,1-6H3,(H2,99,131)(H2,100,132)(H,107,138)(H,108,149)(H,109,150)(H,110,139)(H,111,133)(H,112,136)(H,113,144)(H,114,140)(H,115,143)(H,116,146)(H,117,147)(H,118,137)(H,119,148)(H,120,141)(H,121,151)(H,122,142)(H,123,134)(H,124,135)(H,125,145)(H,152,153)(H4,101,102,105)(H4,103,104,106)/t48-,49+,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50412707
PNG
(CHEMBL230333)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H155N31O28S/c1-48(2)72(122-70(133)43-106-77(137)64(41-68(99)131)119-80(140)59(29-20-37-105-93(102)103)115-85(145)62(117-76(136)54(97)45-125)39-52-21-9-7-10-22-52)88(148)107-44-71(134)123-73(50(4)128)89(149)108-42-69(132)110-61(32-38-153-6)83(143)112-56(26-14-17-34-95)79(139)113-57(27-15-18-35-96)84(144)124-74(51(5)129)90(150)120-65(46-126)87(147)118-63(40-53-23-11-8-12-24-53)86(146)116-60(30-31-67(98)130)82(142)114-58(28-19-36-104-92(100)101)78(138)109-49(3)75(135)111-55(25-13-16-33-94)81(141)121-66(47-127)91(151)152/h7-12,21-24,48-51,54-66,72-74,125-129H,13-20,25-47,94-97H2,1-6H3,(H2,98,130)(H2,99,131)(H,106,137)(H,107,148)(H,108,149)(H,109,138)(H,110,132)(H,111,135)(H,112,143)(H,113,139)(H,114,142)(H,115,145)(H,116,146)(H,117,136)(H,118,147)(H,119,140)(H,120,150)(H,121,141)(H,122,133)(H,123,134)(H,124,144)(H,151,152)(H4,100,101,104)(H4,102,103,105)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477895
PNG
(CHEMBL409981)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H161N31O28S/c1-48(2)72(122-70(133)43-106-77(137)64(41-68(99)131)119-80(140)59(29-20-37-105-93(102)103)115-85(145)62(117-76(136)54(97)45-125)39-52-21-9-7-10-22-52)88(148)107-44-71(134)123-73(50(4)128)89(149)108-42-69(132)110-61(32-38-153-6)83(143)112-56(26-14-17-34-95)79(139)113-57(27-15-18-35-96)84(144)124-74(51(5)129)90(150)120-65(46-126)87(147)118-63(40-53-23-11-8-12-24-53)86(146)116-60(30-31-67(98)130)82(142)114-58(28-19-36-104-92(100)101)78(138)109-49(3)75(135)111-55(25-13-16-33-94)81(141)121-66(47-127)91(151)152/h8,11-12,23-24,48-52,54-66,72-74,125-129H,7,9-10,13-22,25-47,94-97H2,1-6H3,(H2,98,130)(H2,99,131)(H,106,137)(H,107,148)(H,108,149)(H,109,138)(H,110,132)(H,111,135)(H,112,143)(H,113,139)(H,114,142)(H,115,145)(H,116,146)(H,117,136)(H,118,147)(H,119,140)(H,120,150)(H,121,141)(H,122,133)(H,123,134)(H,124,144)(H,151,152)(H4,100,101,104)(H4,102,103,105)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.30n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477884
PNG
(CHEMBL267034)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H154IN31O28S/c1-47(2)72(123-70(134)42-107-77(138)64(40-68(100)132)120-80(141)59(24-17-36-106-93(103)104)116-85(146)62(118-76(137)54(98)44-126)39-52-25-27-53(94)28-26-52)88(149)108-43-71(135)124-73(49(4)129)89(150)109-41-69(133)111-61(31-37-154-6)83(144)113-56(21-11-14-33-96)79(140)114-57(22-12-15-34-97)84(145)125-74(50(5)130)90(151)121-65(45-127)87(148)119-63(38-51-18-8-7-9-19-51)86(147)117-60(29-30-67(99)131)82(143)115-58(23-16-35-105-92(101)102)78(139)110-48(3)75(136)112-55(20-10-13-32-95)81(142)122-66(46-128)91(152)153/h7-9,18-19,25-28,47-50,54-66,72-74,126-130H,10-17,20-24,29-46,95-98H2,1-6H3,(H2,99,131)(H2,100,132)(H,107,138)(H,108,149)(H,109,150)(H,110,139)(H,111,133)(H,112,136)(H,113,144)(H,114,140)(H,115,143)(H,116,146)(H,117,147)(H,118,137)(H,119,148)(H,120,141)(H,121,151)(H,122,142)(H,123,134)(H,124,135)(H,125,145)(H,152,153)(H4,101,102,105)(H4,103,104,106)/t48-,49+,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.80n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477894
PNG
(CHEMBL398483)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1C)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C94H157N31O28S/c1-48(2)73(123-71(134)43-107-78(138)65(41-69(100)132)120-81(141)60(29-20-37-106-94(103)104)116-87(147)64(118-77(137)55(98)45-126)40-54-24-12-11-21-49(54)3)89(149)108-44-72(135)124-74(51(5)129)90(150)109-42-70(133)111-62(32-38-154-7)84(144)113-57(26-14-17-34-96)80(140)114-58(27-15-18-35-97)85(145)125-75(52(6)130)91(151)121-66(46-127)88(148)119-63(39-53-22-9-8-10-23-53)86(146)117-61(30-31-68(99)131)83(143)115-59(28-19-36-105-93(101)102)79(139)110-50(4)76(136)112-56(25-13-16-33-95)82(142)122-67(47-128)92(152)153/h8-12,21-24,48,50-52,55-67,73-75,126-130H,13-20,25-47,95-98H2,1-7H3,(H2,99,131)(H2,100,132)(H,107,138)(H,108,149)(H,109,150)(H,110,139)(H,111,133)(H,112,136)(H,113,144)(H,114,140)(H,115,143)(H,116,147)(H,117,146)(H,118,137)(H,119,148)(H,120,141)(H,121,151)(H,122,142)(H,123,134)(H,124,135)(H,125,145)(H,152,153)(H4,101,102,105)(H4,103,104,106)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.90n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477893
PNG
(CHEMBL398524)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C97H157N31O28S/c1-50(2)76(126-74(137)45-110-81(141)68(43-72(103)135)123-84(144)63(31-20-39-109-97(106)107)119-90(150)67(121-80(140)58(101)47-129)42-56-25-18-24-55-23-10-11-26-57(55)56)92(152)111-46-75(138)127-77(52(4)132)93(153)112-44-73(136)114-65(34-40-157-6)87(147)116-60(28-13-16-36-99)83(143)117-61(29-14-17-37-100)88(148)128-78(53(5)133)94(154)124-69(48-130)91(151)122-66(41-54-21-8-7-9-22-54)89(149)120-64(32-33-71(102)134)86(146)118-62(30-19-38-108-96(104)105)82(142)113-51(3)79(139)115-59(27-12-15-35-98)85(145)125-70(49-131)95(155)156/h7-11,18,21-26,50-53,58-70,76-78,129-133H,12-17,19-20,27-49,98-101H2,1-6H3,(H2,102,134)(H2,103,135)(H,110,141)(H,111,152)(H,112,153)(H,113,142)(H,114,136)(H,115,139)(H,116,147)(H,117,143)(H,118,146)(H,119,150)(H,120,149)(H,121,140)(H,122,151)(H,123,144)(H,124,154)(H,125,145)(H,126,137)(H,127,138)(H,128,148)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t51-,52+,53+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,76-,77-,78-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.90n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477889
PNG
([2Nal2]hNPS)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C97H157N31O28S/c1-50(2)76(126-74(137)45-110-81(141)68(43-72(103)135)123-84(144)63(28-19-38-109-97(106)107)119-90(150)67(121-80(140)58(101)47-129)42-55-29-30-56-22-10-11-23-57(56)40-55)92(152)111-46-75(138)127-77(52(4)132)93(153)112-44-73(136)114-65(33-39-157-6)87(147)116-60(25-13-16-35-99)83(143)117-61(26-14-17-36-100)88(148)128-78(53(5)133)94(154)124-69(48-130)91(151)122-66(41-54-20-8-7-9-21-54)89(149)120-64(31-32-71(102)134)86(146)118-62(27-18-37-108-96(104)105)82(142)113-51(3)79(139)115-59(24-12-15-34-98)85(145)125-70(49-131)95(155)156/h7-11,20-23,29-30,40,50-53,58-70,76-78,129-133H,12-19,24-28,31-39,41-49,98-101H2,1-6H3,(H2,102,134)(H2,103,135)(H,110,141)(H,111,152)(H,112,153)(H,113,142)(H,114,136)(H,115,139)(H,116,147)(H,117,143)(H,118,146)(H,119,150)(H,120,149)(H,121,140)(H,122,151)(H,123,144)(H,124,154)(H,125,145)(H,126,137)(H,127,138)(H,128,148)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t51-,52+,53+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,76-,77-,78-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.20n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477883
PNG
(CHEMBL400369)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C95H156N32O28S/c1-48(2)74(125-72(136)43-109-79(140)66(40-70(101)134)122-82(143)61(28-19-36-107-95(104)105)118-88(149)65(120-78(139)55(99)45-128)39-53-41-108-56-23-11-10-22-54(53)56)90(151)110-44-73(137)126-75(50(4)131)91(152)111-42-71(135)113-63(31-37-156-6)85(146)115-58(25-13-16-33-97)81(142)116-59(26-14-17-34-98)86(147)127-76(51(5)132)92(153)123-67(46-129)89(150)121-64(38-52-20-8-7-9-21-52)87(148)119-62(29-30-69(100)133)84(145)117-60(27-18-35-106-94(102)103)80(141)112-49(3)77(138)114-57(24-12-15-32-96)83(144)124-68(47-130)93(154)155/h7-11,20-23,41,48-51,55,57-68,74-76,108,128-132H,12-19,24-40,42-47,96-99H2,1-6H3,(H2,100,133)(H2,101,134)(H,109,140)(H,110,151)(H,111,152)(H,112,141)(H,113,135)(H,114,138)(H,115,146)(H,116,142)(H,117,145)(H,118,149)(H,119,148)(H,120,139)(H,121,150)(H,122,143)(H,123,153)(H,124,144)(H,125,136)(H,126,137)(H,127,147)(H,154,155)(H4,102,103,106)(H4,104,105,107)/t49-,50+,51+,55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-,75-,76-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.20n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50412707
PNG
(CHEMBL230333)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H155N31O28S/c1-48(2)72(122-70(133)43-106-77(137)64(41-68(99)131)119-80(140)59(29-20-37-105-93(102)103)115-85(145)62(117-76(136)54(97)45-125)39-52-21-9-7-10-22-52)88(148)107-44-71(134)123-73(50(4)128)89(149)108-42-69(132)110-61(32-38-153-6)83(143)112-56(26-14-17-34-95)79(139)113-57(27-15-18-35-96)84(144)124-74(51(5)129)90(150)120-65(46-126)87(147)118-63(40-53-23-11-8-12-24-53)86(146)116-60(30-31-67(98)130)82(142)114-58(28-19-36-104-92(100)101)78(138)109-49(3)75(135)111-55(25-13-16-33-94)81(141)121-66(47-127)91(151)152/h7-12,21-24,48-51,54-66,72-74,125-129H,13-20,25-47,94-97H2,1-6H3,(H2,98,130)(H2,99,131)(H,106,137)(H,107,148)(H,108,149)(H,109,138)(H,110,132)(H,111,135)(H,112,143)(H,113,139)(H,114,142)(H,115,145)(H,116,146)(H,117,136)(H,118,147)(H,119,140)(H,120,150)(H,121,141)(H,122,133)(H,123,134)(H,124,144)(H,151,152)(H4,100,101,104)(H4,102,103,105)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.24n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells by calcium mobilization assay


J Med Chem 52: 524-9 (2009)


Article DOI: 10.1021/jm8012294
BindingDB Entry DOI: 10.7270/Q2DR2WR9
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50412701
PNG
(CHEMBL525809)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C97H163N31O28S/c1-50(2)41-65(121-89(149)68(44-72(103)135)123-82(142)62(31-22-39-109-97(106)107)118-87(147)66(120-79(139)57(101)47-129)42-55-23-11-9-12-24-55)90(150)127-75(51(3)4)92(152)110-46-74(137)126-76(53(6)132)93(153)111-45-73(136)113-64(34-40-157-8)85(145)115-59(28-16-19-36-99)81(141)116-60(29-17-20-37-100)86(146)128-77(54(7)133)94(154)124-69(48-130)91(151)122-67(43-56-25-13-10-14-26-56)88(148)119-63(32-33-71(102)134)84(144)117-61(30-21-38-108-96(104)105)80(140)112-52(5)78(138)114-58(27-15-18-35-98)83(143)125-70(49-131)95(155)156/h9-14,23-26,50-54,57-70,75-77,129-133H,15-22,27-49,98-101H2,1-8H3,(H2,102,134)(H2,103,135)(H,110,152)(H,111,153)(H,112,140)(H,113,136)(H,114,138)(H,115,145)(H,116,141)(H,117,144)(H,118,147)(H,119,148)(H,120,139)(H,121,149)(H,122,151)(H,123,142)(H,124,154)(H,125,143)(H,126,137)(H,127,150)(H,128,146)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t52-,53+,54+,57-,58-,59-,60-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-,75-,76-,77-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.24n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells by calcium mobilization assay


J Med Chem 52: 524-9 (2009)


Article DOI: 10.1021/jm8012294
BindingDB Entry DOI: 10.7270/Q2DR2WR9
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477900
PNG
(CHEMBL437199)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H155N31O29S/c1-47(2)72(122-70(134)42-106-77(138)64(40-68(99)132)119-80(141)59(24-17-36-105-93(102)103)115-85(146)62(117-76(137)54(97)44-125)39-52-25-27-53(130)28-26-52)88(149)107-43-71(135)123-73(49(4)128)89(150)108-41-69(133)110-61(31-37-154-6)83(144)112-56(21-11-14-33-95)79(140)113-57(22-12-15-34-96)84(145)124-74(50(5)129)90(151)120-65(45-126)87(148)118-63(38-51-18-8-7-9-19-51)86(147)116-60(29-30-67(98)131)82(143)114-58(23-16-35-104-92(100)101)78(139)109-48(3)75(136)111-55(20-10-13-32-94)81(142)121-66(46-127)91(152)153/h7-9,18-19,25-28,47-50,54-66,72-74,125-130H,10-17,20-24,29-46,94-97H2,1-6H3,(H2,98,131)(H2,99,132)(H,106,138)(H,107,149)(H,108,150)(H,109,139)(H,110,133)(H,111,136)(H,112,144)(H,113,140)(H,114,143)(H,115,146)(H,116,147)(H,117,137)(H,118,148)(H,119,141)(H,120,151)(H,121,142)(H,122,134)(H,123,135)(H,124,145)(H,152,153)(H4,100,101,104)(H4,102,103,105)/t48-,49+,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.30n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477887
PNG
(CHEMBL437389)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C94H154F3N31O28S/c1-47(2)72(126-70(137)42-110-77(141)64(40-68(103)135)123-80(144)59(24-17-36-109-93(106)107)119-85(149)62(121-76(140)54(101)44-129)39-52-25-27-53(28-26-52)94(95,96)97)88(152)111-43-71(138)127-73(49(4)132)89(153)112-41-69(136)114-61(31-37-157-6)83(147)116-56(21-11-14-33-99)79(143)117-57(22-12-15-34-100)84(148)128-74(50(5)133)90(154)124-65(45-130)87(151)122-63(38-51-18-8-7-9-19-51)86(150)120-60(29-30-67(102)134)82(146)118-58(23-16-35-108-92(104)105)78(142)113-48(3)75(139)115-55(20-10-13-32-98)81(145)125-66(46-131)91(155)156/h7-9,18-19,25-28,47-50,54-66,72-74,129-133H,10-17,20-24,29-46,98-101H2,1-6H3,(H2,102,134)(H2,103,135)(H,110,141)(H,111,152)(H,112,153)(H,113,142)(H,114,136)(H,115,139)(H,116,147)(H,117,143)(H,118,146)(H,119,149)(H,120,150)(H,121,140)(H,122,151)(H,123,144)(H,124,154)(H,125,145)(H,126,137)(H,127,138)(H,128,148)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t48-,49+,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.60n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477885
PNG
(CHEMBL252537)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(cc1)C#N)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C94H154N32O28S/c1-48(2)73(124-71(135)43-108-78(139)65(40-69(101)133)121-81(142)60(24-17-36-107-94(104)105)117-86(147)63(119-77(138)55(99)45-127)39-53-25-27-54(41-98)28-26-53)89(150)109-44-72(136)125-74(50(4)130)90(151)110-42-70(134)112-62(31-37-155-6)84(145)114-57(21-11-14-33-96)80(141)115-58(22-12-15-34-97)85(146)126-75(51(5)131)91(152)122-66(46-128)88(149)120-64(38-52-18-8-7-9-19-52)87(148)118-61(29-30-68(100)132)83(144)116-59(23-16-35-106-93(102)103)79(140)111-49(3)76(137)113-56(20-10-13-32-95)82(143)123-67(47-129)92(153)154/h7-9,18-19,25-28,48-51,55-67,73-75,127-131H,10-17,20-24,29-40,42-47,95-97,99H2,1-6H3,(H2,100,132)(H2,101,133)(H,108,139)(H,109,150)(H,110,151)(H,111,140)(H,112,134)(H,113,137)(H,114,145)(H,115,141)(H,116,144)(H,117,147)(H,118,148)(H,119,138)(H,120,149)(H,121,142)(H,122,152)(H,123,143)(H,124,135)(H,125,136)(H,126,146)(H,153,154)(H4,102,103,106)(H4,104,105,107)/t49-,50+,51+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.30n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477892
PNG
(CHEMBL411392)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H154N32O30S/c1-47(2)72(122-70(134)42-106-77(138)64(40-68(99)132)119-80(141)59(24-17-36-105-93(102)103)115-85(146)62(117-76(137)54(97)44-126)39-52-25-27-53(28-26-52)125(154)155)88(149)107-43-71(135)123-73(49(4)129)89(150)108-41-69(133)110-61(31-37-156-6)83(144)112-56(21-11-14-33-95)79(140)113-57(22-12-15-34-96)84(145)124-74(50(5)130)90(151)120-65(45-127)87(148)118-63(38-51-18-8-7-9-19-51)86(147)116-60(29-30-67(98)131)82(143)114-58(23-16-35-104-92(100)101)78(139)109-48(3)75(136)111-55(20-10-13-32-94)81(142)121-66(46-128)91(152)153/h7-9,18-19,25-28,47-50,54-66,72-74,126-130H,10-17,20-24,29-46,94-97H2,1-6H3,(H2,98,131)(H2,99,132)(H,106,138)(H,107,149)(H,108,150)(H,109,139)(H,110,133)(H,111,136)(H,112,144)(H,113,140)(H,114,143)(H,115,146)(H,116,147)(H,117,137)(H,118,148)(H,119,141)(H,120,151)(H,121,142)(H,122,134)(H,123,135)(H,124,145)(H,152,153)(H4,100,101,104)(H4,102,103,105)/t48-,49+,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.60n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477882
PNG
(CHEMBL413849)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C94H157N31O28S/c1-49(2)73(123-71(134)44-107-78(138)65(42-69(100)132)120-81(141)60(29-20-39-106-94(103)104)117-83(143)61(113-77(137)55(98)46-126)31-30-53-21-9-7-10-22-53)89(149)108-45-72(135)124-74(51(4)129)90(150)109-43-70(133)111-63(34-40-154-6)85(145)114-57(26-14-17-36-96)80(140)115-58(27-15-18-37-97)86(146)125-75(52(5)130)91(151)121-66(47-127)88(148)119-64(41-54-23-11-8-12-24-54)87(147)118-62(32-33-68(99)131)84(144)116-59(28-19-38-105-93(101)102)79(139)110-50(3)76(136)112-56(25-13-16-35-95)82(142)122-67(48-128)92(152)153/h7-12,21-24,49-52,55-67,73-75,126-130H,13-20,25-48,95-98H2,1-6H3,(H2,99,131)(H2,100,132)(H,107,138)(H,108,149)(H,109,150)(H,110,139)(H,111,133)(H,112,136)(H,113,137)(H,114,145)(H,115,140)(H,116,144)(H,117,143)(H,118,147)(H,119,148)(H,120,141)(H,121,151)(H,122,142)(H,123,134)(H,124,135)(H,125,146)(H,152,153)(H4,101,102,105)(H4,103,104,106)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.20n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50412707
PNG
(CHEMBL230333)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H155N31O28S/c1-48(2)72(122-70(133)43-106-77(137)64(41-68(99)131)119-80(140)59(29-20-37-105-93(102)103)115-85(145)62(117-76(136)54(97)45-125)39-52-21-9-7-10-22-52)88(148)107-44-71(134)123-73(50(4)128)89(149)108-42-69(132)110-61(32-38-153-6)83(143)112-56(26-14-17-34-95)79(139)113-57(27-15-18-35-96)84(144)124-74(51(5)129)90(150)120-65(46-126)87(147)118-63(40-53-23-11-8-12-24-53)86(146)116-60(30-31-67(98)130)82(142)114-58(28-19-36-104-92(100)101)78(138)109-49(3)75(135)111-55(25-13-16-33-94)81(141)121-66(47-127)91(151)152/h7-12,21-24,48-51,54-66,72-74,125-129H,13-20,25-47,94-97H2,1-6H3,(H2,98,130)(H2,99,131)(H,106,137)(H,107,148)(H,108,149)(H,109,138)(H,110,132)(H,111,135)(H,112,143)(H,113,139)(H,114,142)(H,115,145)(H,116,146)(H,117,136)(H,118,147)(H,119,140)(H,120,150)(H,121,141)(H,122,133)(H,123,134)(H,124,144)(H,151,152)(H4,100,101,104)(H4,102,103,105)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.80n/an/an/an/a



National Institute of Neuroscienc

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells by calcium mobilization assay


J Med Chem 52: 4068-71 (2009)


Article DOI: 10.1021/jm900604g
BindingDB Entry DOI: 10.7270/Q2445NQD
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477897
PNG
(CHEMBL427638)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C94H155N31O28S/c1-48(2)73(122-71(134)42-107-77(137)64(40-69(100)132)119-80(140)60(28-19-36-106-94(103)104)117-87(147)67-39-53-22-10-11-23-54(53)44-125(67)91(151)55(98)45-126)88(148)108-43-72(135)123-74(50(4)129)89(149)109-41-70(133)111-62(31-37-154-6)83(143)113-57(25-13-16-33-96)79(139)114-58(26-14-17-34-97)84(144)124-75(51(5)130)90(150)120-65(46-127)86(146)118-63(38-52-20-8-7-9-21-52)85(145)116-61(29-30-68(99)131)82(142)115-59(27-18-35-105-93(101)102)78(138)110-49(3)76(136)112-56(24-12-15-32-95)81(141)121-66(47-128)92(152)153/h7-11,20-23,48-51,55-67,73-75,126-130H,12-19,24-47,95-98H2,1-6H3,(H2,99,131)(H2,100,132)(H,107,137)(H,108,148)(H,109,149)(H,110,138)(H,111,133)(H,112,136)(H,113,143)(H,114,139)(H,115,142)(H,116,145)(H,117,147)(H,118,146)(H,119,140)(H,120,150)(H,121,141)(H,122,134)(H,123,135)(H,124,144)(H,152,153)(H4,101,102,105)(H4,103,104,106)/t49-,50+,51+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.10n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477896
PNG
(CHEMBL268436)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C90H157N31O28S/c1-45(2)36-59(114-73(133)51(94)42-122)82(142)112-56(26-19-34-102-90(99)100)77(137)116-61(38-65(96)128)74(134)103-40-67(130)119-69(46(3)4)85(145)104-41-68(131)120-70(48(6)125)86(146)105-39-66(129)107-58(29-35-150-8)80(140)109-53(23-13-16-31-92)76(136)110-54(24-14-17-32-93)81(141)121-71(49(7)126)87(147)117-62(43-123)84(144)115-60(37-50-20-10-9-11-21-50)83(143)113-57(27-28-64(95)127)79(139)111-55(25-18-33-101-89(97)98)75(135)106-47(5)72(132)108-52(22-12-15-30-91)78(138)118-63(44-124)88(148)149/h9-11,20-21,45-49,51-63,69-71,122-126H,12-19,22-44,91-94H2,1-8H3,(H2,95,127)(H2,96,128)(H,103,134)(H,104,145)(H,105,146)(H,106,135)(H,107,129)(H,108,132)(H,109,140)(H,110,136)(H,111,139)(H,112,142)(H,113,143)(H,114,133)(H,115,144)(H,116,137)(H,117,147)(H,118,138)(H,119,130)(H,120,131)(H,121,141)(H,148,149)(H4,97,98,101)(H4,99,100,102)/t47-,48+,49+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,69-,70-,71-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.30n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477881
PNG
(CHEMBL2372117)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]1(CCc2ccccc2C1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C95H157N31O28S/c1-49(2)73(123-71(135)44-108-78(139)65(41-69(101)133)119-82(143)61(28-19-38-107-94(104)105)122-92(154)95(126-77(138)56(99)46-127)33-31-54-22-10-11-23-55(54)42-95)88(149)109-45-72(136)124-74(51(4)130)89(150)110-43-70(134)112-63(32-39-155-6)84(145)114-58(25-13-16-35-97)80(141)115-59(26-14-17-36-98)85(146)125-75(52(5)131)90(151)120-66(47-128)87(148)118-64(40-53-20-8-7-9-21-53)86(147)117-62(29-30-68(100)132)83(144)116-60(27-18-37-106-93(102)103)79(140)111-50(3)76(137)113-57(24-12-15-34-96)81(142)121-67(48-129)91(152)153/h7-11,20-23,49-52,56-67,73-75,127-131H,12-19,24-48,96-99H2,1-6H3,(H2,100,132)(H2,101,133)(H,108,139)(H,109,149)(H,110,150)(H,111,140)(H,112,134)(H,113,137)(H,114,145)(H,115,141)(H,116,144)(H,117,147)(H,118,148)(H,119,143)(H,120,151)(H,121,142)(H,122,154)(H,123,135)(H,124,136)(H,125,146)(H,126,138)(H,152,153)(H4,102,103,106)(H4,104,105,107)/t50-,51+,52+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-,95-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 11n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479763
PNG
(CHEMBL524693)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C94H157N31O28S/c1-49(2)73(123-71(134)44-107-78(138)65(42-69(100)132)120-81(141)58(29-16-20-37-105-93(101)102)116-86(146)63(118-77(137)55(98)46-126)40-53-22-9-7-10-23-53)89(149)108-45-72(135)124-74(51(4)129)90(150)109-43-70(133)111-62(33-39-154-6)84(144)113-57(27-14-18-35-96)80(140)114-59(28-15-19-36-97)85(145)125-75(52(5)130)91(151)121-66(47-127)88(148)119-64(41-54-24-11-8-12-25-54)87(147)117-61(31-32-68(99)131)83(143)115-60(30-21-38-106-94(103)104)79(139)110-50(3)76(136)112-56(26-13-17-34-95)82(142)122-67(48-128)92(152)153/h7-12,22-25,49-52,55-67,73-75,126-130H,13-21,26-48,95-98H2,1-6H3,(H2,99,131)(H2,100,132)(H,107,138)(H,108,149)(H,109,150)(H,110,139)(H,111,133)(H,112,136)(H,113,144)(H,114,140)(H,115,143)(H,116,146)(H,117,147)(H,118,137)(H,119,148)(H,120,141)(H,121,151)(H,122,142)(H,123,134)(H,124,135)(H,125,145)(H,152,153)(H4,101,102,105)(H4,103,104,106)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 11n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50412707
PNG
(CHEMBL230333)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H155N31O28S/c1-48(2)72(122-70(133)43-106-77(137)64(41-68(99)131)119-80(140)59(29-20-37-105-93(102)103)115-85(145)62(117-76(136)54(97)45-125)39-52-21-9-7-10-22-52)88(148)107-44-71(134)123-73(50(4)128)89(149)108-42-69(132)110-61(32-38-153-6)83(143)112-56(26-14-17-34-95)79(139)113-57(27-15-18-35-96)84(144)124-74(51(5)129)90(150)120-65(46-126)87(147)118-63(40-53-23-11-8-12-24-53)86(146)116-60(30-31-67(98)130)82(142)114-58(28-19-36-104-92(100)101)78(138)109-49(3)75(135)111-55(25-13-16-33-94)81(141)121-66(47-127)91(151)152/h7-12,21-24,48-51,54-66,72-74,125-129H,13-20,25-47,94-97H2,1-6H3,(H2,98,130)(H2,99,131)(H,106,137)(H,107,148)(H,108,149)(H,109,138)(H,110,132)(H,111,135)(H,112,143)(H,113,139)(H,114,142)(H,115,145)(H,116,146)(H,117,136)(H,118,147)(H,119,140)(H,120,150)(H,121,141)(H,122,133)(H,123,134)(H,124,144)(H,151,152)(H4,100,101,104)(H4,102,103,105)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 12n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50412705
PNG
(CHEMBL526355)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C94H157N31O28S2/c1-48(2)72(124-88(148)67(47-154)122-86(146)64(41-69(100)132)119-79(139)59(29-20-37-106-94(103)104)115-84(144)62(117-76(136)54(98)44-126)39-52-21-9-7-10-22-52)89(149)107-43-71(134)123-73(50(4)129)90(150)108-42-70(133)110-61(32-38-155-6)82(142)112-56(26-14-17-34-96)78(138)113-57(27-15-18-35-97)83(143)125-74(51(5)130)91(151)120-65(45-127)87(147)118-63(40-53-23-11-8-12-24-53)85(145)116-60(30-31-68(99)131)81(141)114-58(28-19-36-105-93(101)102)77(137)109-49(3)75(135)111-55(25-13-16-33-95)80(140)121-66(46-128)92(152)153/h7-12,21-24,48-51,54-67,72-74,126-130,154H,13-20,25-47,95-98H2,1-6H3,(H2,99,131)(H2,100,132)(H,107,149)(H,108,150)(H,109,137)(H,110,133)(H,111,135)(H,112,142)(H,113,138)(H,114,141)(H,115,144)(H,116,145)(H,117,136)(H,118,147)(H,119,139)(H,120,151)(H,121,140)(H,122,146)(H,123,134)(H,124,148)(H,125,143)(H,152,153)(H4,101,102,105)(H4,103,104,106)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 13.8n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells by calcium mobilization assay


J Med Chem 52: 524-9 (2009)


Article DOI: 10.1021/jm8012294
BindingDB Entry DOI: 10.7270/Q2DR2WR9
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477886
PNG
(CHEMBL409555)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CN(Cc1ccccc1)C(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H155N31O28S/c1-49(2)73(121-70(133)42-106-77(137)64(40-68(99)131)118-79(139)56(28-19-36-104-92(100)101)111-72(135)45-124(90(150)55(97)46-125)44-54-23-11-8-12-24-54)87(147)107-43-71(134)122-74(51(4)128)88(148)108-41-69(132)110-62(32-38-153-6)83(143)113-58(26-14-17-34-95)80(140)114-59(27-15-18-35-96)84(144)123-75(52(5)129)89(149)119-65(47-126)86(146)117-63(39-53-21-9-7-10-22-53)85(145)116-61(30-31-67(98)130)82(142)115-60(29-20-37-105-93(102)103)78(138)109-50(3)76(136)112-57(25-13-16-33-94)81(141)120-66(48-127)91(151)152/h7-12,21-24,49-52,55-66,73-75,125-129H,13-20,25-48,94-97H2,1-6H3,(H2,98,130)(H2,99,131)(H,106,137)(H,107,147)(H,108,148)(H,109,138)(H,110,132)(H,111,135)(H,112,136)(H,113,143)(H,114,140)(H,115,142)(H,116,145)(H,117,146)(H,118,139)(H,119,149)(H,120,141)(H,121,133)(H,122,134)(H,123,144)(H,151,152)(H4,100,101,104)(H4,102,103,105)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,73-,74-,75-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 15n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479760
PNG
(CHEMBL526551)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H155N29O28S/c1-49(2)73(120-71(131)44-104-78(135)65(42-69(100)129)117-81(138)58(28-15-19-36-96)113-86(143)63(115-77(134)55(98)46-123)40-53-22-9-7-10-23-53)89(146)105-45-72(132)121-74(51(4)126)90(147)106-43-70(130)108-62(33-39-151-6)84(141)110-57(27-14-18-35-95)80(137)111-59(29-16-20-37-97)85(142)122-75(52(5)127)91(148)118-66(47-124)88(145)116-64(41-54-24-11-8-12-25-54)87(144)114-61(31-32-68(99)128)83(140)112-60(30-21-38-103-93(101)102)79(136)107-50(3)76(133)109-56(26-13-17-34-94)82(139)119-67(48-125)92(149)150/h7-12,22-25,49-52,55-67,73-75,123-127H,13-21,26-48,94-98H2,1-6H3,(H2,99,128)(H2,100,129)(H,104,135)(H,105,146)(H,106,147)(H,107,136)(H,108,130)(H,109,133)(H,110,141)(H,111,137)(H,112,140)(H,113,143)(H,114,144)(H,115,134)(H,116,145)(H,117,138)(H,118,148)(H,119,139)(H,120,131)(H,121,132)(H,122,142)(H,149,150)(H4,101,102,103)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 18n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477890
PNG
(CHEMBL267266)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C99H159N31O28S/c1-52(2)78(128-76(139)47-112-83(143)70(45-74(105)137)125-86(146)65(29-20-41-111-99(108)109)121-91(151)68(123-82(142)60(103)49-131)44-57-30-32-59(33-31-57)58-23-11-8-12-24-58)94(154)113-48-77(140)129-79(54(4)134)95(155)114-46-75(138)116-67(36-42-159-6)89(149)118-62(26-14-17-38-101)85(145)119-63(27-15-18-39-102)90(150)130-80(55(5)135)96(156)126-71(50-132)93(153)124-69(43-56-21-9-7-10-22-56)92(152)122-66(34-35-73(104)136)88(148)120-64(28-19-40-110-98(106)107)84(144)115-53(3)81(141)117-61(25-13-16-37-100)87(147)127-72(51-133)97(157)158/h7-12,21-24,30-33,52-55,60-72,78-80,131-135H,13-20,25-29,34-51,100-103H2,1-6H3,(H2,104,136)(H2,105,137)(H,112,143)(H,113,154)(H,114,155)(H,115,144)(H,116,138)(H,117,141)(H,118,149)(H,119,145)(H,120,148)(H,121,151)(H,122,152)(H,123,142)(H,124,153)(H,125,146)(H,126,156)(H,127,147)(H,128,139)(H,129,140)(H,130,150)(H,157,158)(H4,106,107,110)(H4,108,109,111)/t53-,54+,55+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,78-,79-,80-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 20n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479773
PNG
(CHEMBL524688)
Show SMILES CN\C(NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O)=N\C
Show InChI InChI=1S/C95H159N31O28S/c1-50(2)74(124-72(135)45-108-79(139)66(43-70(101)133)121-82(142)61(31-22-39-107-95(104-6)105-7)117-87(147)64(119-78(138)56(99)47-127)41-54-23-11-9-12-24-54)90(150)109-46-73(136)125-75(52(4)130)91(151)110-44-71(134)112-63(34-40-155-8)85(145)114-58(28-16-19-36-97)81(141)115-59(29-17-20-37-98)86(146)126-76(53(5)131)92(152)122-67(48-128)89(149)120-65(42-55-25-13-10-14-26-55)88(148)118-62(32-33-69(100)132)84(144)116-60(30-21-38-106-94(102)103)80(140)111-51(3)77(137)113-57(27-15-18-35-96)83(143)123-68(49-129)93(153)154/h9-14,23-26,50-53,56-68,74-76,127-131H,15-22,27-49,96-99H2,1-8H3,(H2,100,132)(H2,101,133)(H,108,139)(H,109,150)(H,110,151)(H,111,140)(H,112,134)(H,113,137)(H,114,145)(H,115,141)(H,116,144)(H,117,147)(H,118,148)(H,119,138)(H,120,149)(H,121,142)(H,122,152)(H,123,143)(H,124,135)(H,125,136)(H,126,146)(H,153,154)(H4,102,103,106)(H2,104,105,107)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-,75-,76-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 22n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479765
PNG
(CHEMBL448242)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN\C(N)=N\[N+]([O-])=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H154N32O30S/c1-48(2)72(121-70(134)43-105-77(138)64(41-68(99)132)118-80(141)59(29-20-37-104-93(102)124-125(154)155)114-85(146)62(116-76(137)54(97)45-126)39-52-21-9-7-10-22-52)88(149)106-44-71(135)122-73(50(4)129)89(150)107-42-69(133)109-61(32-38-156-6)83(144)111-56(26-14-17-34-95)79(140)112-57(27-15-18-35-96)84(145)123-74(51(5)130)90(151)119-65(46-127)87(148)117-63(40-53-23-11-8-12-24-53)86(147)115-60(30-31-67(98)131)82(143)113-58(28-19-36-103-92(100)101)78(139)108-49(3)75(136)110-55(25-13-16-33-94)81(142)120-66(47-128)91(152)153/h7-12,21-24,48-51,54-66,72-74,126-130H,13-20,25-47,94-97H2,1-6H3,(H2,98,131)(H2,99,132)(H,105,138)(H,106,149)(H,107,150)(H,108,139)(H,109,133)(H,110,136)(H,111,144)(H,112,140)(H,113,143)(H,114,146)(H,115,147)(H,116,137)(H,117,148)(H,118,141)(H,119,151)(H,120,142)(H,121,134)(H,122,135)(H,123,145)(H,152,153)(H4,100,101,103)(H3,102,104,124)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 22n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479764
PNG
(CHEMBL524654)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C95H159N31O28S/c1-50(2)74(123-72(135)45-107-79(139)66(43-70(101)133)120-82(142)61(31-22-39-106-95(104)126(6)7)116-87(147)64(118-78(138)56(99)47-127)41-54-23-11-9-12-24-54)90(150)108-46-73(136)124-75(52(4)130)91(151)109-44-71(134)111-63(34-40-155-8)85(145)113-58(28-16-19-36-97)81(141)114-59(29-17-20-37-98)86(146)125-76(53(5)131)92(152)121-67(48-128)89(149)119-65(42-55-25-13-10-14-26-55)88(148)117-62(32-33-69(100)132)84(144)115-60(30-21-38-105-94(102)103)80(140)110-51(3)77(137)112-57(27-15-18-35-96)83(143)122-68(49-129)93(153)154/h9-14,23-26,50-53,56-68,74-76,127-131H,15-22,27-49,96-99H2,1-8H3,(H2,100,132)(H2,101,133)(H2,104,106)(H,107,139)(H,108,150)(H,109,151)(H,110,140)(H,111,134)(H,112,137)(H,113,145)(H,114,141)(H,115,144)(H,116,147)(H,117,148)(H,118,138)(H,119,149)(H,120,142)(H,121,152)(H,122,143)(H,123,135)(H,124,136)(H,125,146)(H,153,154)(H4,102,103,105)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-,75-,76-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 32n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479769
PNG
(CHEMBL510338)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C92H153N29O28S/c1-48(2)72(119-70(130)43-103-77(134)64(41-68(99)128)116-80(137)58(28-19-36-96)112-85(142)62(114-76(133)54(97)45-122)39-52-21-9-7-10-22-52)88(145)104-44-71(131)120-73(50(4)125)89(146)105-42-69(129)107-61(32-38-150-6)83(140)109-56(26-14-17-34-94)79(136)110-57(27-15-18-35-95)84(141)121-74(51(5)126)90(147)117-65(46-123)87(144)115-63(40-53-23-11-8-12-24-53)86(143)113-60(30-31-67(98)127)82(139)111-59(29-20-37-102-92(100)101)78(135)106-49(3)75(132)108-55(25-13-16-33-93)81(138)118-66(47-124)91(148)149/h7-12,21-24,48-51,54-66,72-74,122-126H,13-20,25-47,93-97H2,1-6H3,(H2,98,127)(H2,99,128)(H,103,134)(H,104,145)(H,105,146)(H,106,135)(H,107,129)(H,108,132)(H,109,140)(H,110,136)(H,111,139)(H,112,142)(H,113,143)(H,114,133)(H,115,144)(H,116,137)(H,117,147)(H,118,138)(H,119,130)(H,120,131)(H,121,141)(H,148,149)(H4,100,101,102)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 32n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477888
PNG
(CHEMBL411571)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1(Cc2ccccc2C1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C94H155N31O28S/c1-48(2)72(122-70(134)43-107-77(138)64(39-68(100)132)118-81(142)60(28-19-36-106-93(103)104)121-91(153)94(125-76(137)55(98)45-126)40-53-22-10-11-23-54(53)41-94)87(148)108-44-71(135)123-73(50(4)129)88(149)109-42-69(133)111-62(31-37-154-6)83(144)113-57(25-13-16-33-96)79(140)114-58(26-14-17-34-97)84(145)124-74(51(5)130)89(150)119-65(46-127)86(147)117-63(38-52-20-8-7-9-21-52)85(146)116-61(29-30-67(99)131)82(143)115-59(27-18-35-105-92(101)102)78(139)110-49(3)75(136)112-56(24-12-15-32-95)80(141)120-66(47-128)90(151)152/h7-11,20-23,48-51,55-66,72-74,126-130H,12-19,24-47,95-98H2,1-6H3,(H2,99,131)(H2,100,132)(H,107,138)(H,108,148)(H,109,149)(H,110,139)(H,111,133)(H,112,136)(H,113,144)(H,114,140)(H,115,143)(H,116,146)(H,117,147)(H,118,142)(H,119,150)(H,120,141)(H,121,153)(H,122,134)(H,123,135)(H,124,145)(H,125,137)(H,151,152)(H4,101,102,105)(H4,103,104,106)/t49-,50+,51+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 34n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50412703
PNG
(CHEMBL505657)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C96H161N31O28S/c1-49(2)73(126-92(152)74(50(3)4)125-88(148)66(43-70(102)134)121-81(141)61(31-22-39-108-96(105)106)117-86(146)64(119-78(138)56(100)46-128)41-54-23-11-9-12-24-54)90(150)109-45-72(136)124-75(52(6)131)91(151)110-44-71(135)112-63(34-40-156-8)84(144)114-58(28-16-19-36-98)80(140)115-59(29-17-20-37-99)85(145)127-76(53(7)132)93(153)122-67(47-129)89(149)120-65(42-55-25-13-10-14-26-55)87(147)118-62(32-33-69(101)133)83(143)116-60(30-21-38-107-95(103)104)79(139)111-51(5)77(137)113-57(27-15-18-35-97)82(142)123-68(48-130)94(154)155/h9-14,23-26,49-53,56-68,73-76,128-132H,15-22,27-48,97-100H2,1-8H3,(H2,101,133)(H2,102,134)(H,109,150)(H,110,151)(H,111,139)(H,112,135)(H,113,137)(H,114,144)(H,115,140)(H,116,143)(H,117,146)(H,118,147)(H,119,138)(H,120,149)(H,121,141)(H,122,153)(H,123,142)(H,124,136)(H,125,148)(H,126,152)(H,127,145)(H,154,155)(H4,103,104,107)(H4,105,106,108)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-,76-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 66.1n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells by calcium mobilization assay


J Med Chem 52: 524-9 (2009)


Article DOI: 10.1021/jm8012294
BindingDB Entry DOI: 10.7270/Q2DR2WR9
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50412700
PNG
(CHEMBL526492)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C94H157N31O28S2/c1-48(2)72(124-88(148)67(47-154)122-86(146)64(41-69(100)132)119-79(139)59(29-20-37-106-94(103)104)115-84(144)62(117-76(136)54(98)44-126)39-52-21-9-7-10-22-52)89(149)107-43-71(134)123-73(50(4)129)90(150)108-42-70(133)110-61(32-38-155-6)82(142)112-56(26-14-17-34-96)78(138)113-57(27-15-18-35-97)83(143)125-74(51(5)130)91(151)120-65(45-127)87(147)118-63(40-53-23-11-8-12-24-53)85(145)116-60(30-31-68(99)131)81(141)114-58(28-19-36-105-93(101)102)77(137)109-49(3)75(135)111-55(25-13-16-33-95)80(140)121-66(46-128)92(152)153/h7-12,21-24,48-51,54-67,72-74,126-130,154H,13-20,25-47,95-98H2,1-6H3,(H2,99,131)(H2,100,132)(H,107,149)(H,108,150)(H,109,137)(H,110,133)(H,111,135)(H,112,142)(H,113,138)(H,114,141)(H,115,144)(H,116,145)(H,117,136)(H,118,147)(H,119,139)(H,120,151)(H,121,140)(H,122,146)(H,123,134)(H,124,148)(H,125,143)(H,152,153)(H4,101,102,105)(H4,103,104,106)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 70.8n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells by calcium mobilization assay


J Med Chem 52: 524-9 (2009)


Article DOI: 10.1021/jm8012294
BindingDB Entry DOI: 10.7270/Q2DR2WR9
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479772
PNG
(CHEMBL525031)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C95H154F3N29O29S/c1-49(2)73(125-71(136)44-109-78(140)65(42-69(104)134)122-81(143)58(29-16-20-37-107-93(156)95(96,97)98)118-86(148)63(120-77(139)55(102)46-128)40-53-22-9-7-10-23-53)89(151)110-45-72(137)126-74(51(4)131)90(152)111-43-70(135)113-62(33-39-157-6)84(146)115-57(27-14-18-35-100)80(142)116-59(28-15-19-36-101)85(147)127-75(52(5)132)91(153)123-66(47-129)88(150)121-64(41-54-24-11-8-12-25-54)87(149)119-61(31-32-68(103)133)83(145)117-60(30-21-38-108-94(105)106)79(141)112-50(3)76(138)114-56(26-13-17-34-99)82(144)124-67(48-130)92(154)155/h7-12,22-25,49-52,55-67,73-75,128-132H,13-21,26-48,99-102H2,1-6H3,(H2,103,133)(H2,104,134)(H,107,156)(H,109,140)(H,110,151)(H,111,152)(H,112,141)(H,113,135)(H,114,138)(H,115,146)(H,116,142)(H,117,145)(H,118,148)(H,119,149)(H,120,139)(H,121,150)(H,122,143)(H,123,153)(H,124,144)(H,125,136)(H,126,137)(H,127,147)(H,154,155)(H4,105,106,108)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 85n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50412704
PNG
(CHEMBL507881)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C96H161N31O28S2/c1-50(2)74(126-86(146)64(34-41-157-7)119-89(149)67(44-71(102)134)122-81(141)61(30-21-39-108-96(105)106)117-87(147)65(120-78(138)56(100)47-128)42-54-22-10-8-11-23-54)91(151)109-46-73(136)125-75(52(4)131)92(152)110-45-72(135)112-63(33-40-156-6)84(144)114-58(27-15-18-36-98)80(140)115-59(28-16-19-37-99)85(145)127-76(53(5)132)93(153)123-68(48-129)90(150)121-66(43-55-24-12-9-13-25-55)88(148)118-62(31-32-70(101)133)83(143)116-60(29-20-38-107-95(103)104)79(139)111-51(3)77(137)113-57(26-14-17-35-97)82(142)124-69(49-130)94(154)155/h8-13,22-25,50-53,56-69,74-76,128-132H,14-21,26-49,97-100H2,1-7H3,(H2,101,133)(H2,102,134)(H,109,151)(H,110,152)(H,111,139)(H,112,135)(H,113,137)(H,114,144)(H,115,140)(H,116,143)(H,117,147)(H,118,148)(H,119,149)(H,120,138)(H,121,150)(H,122,141)(H,123,153)(H,124,142)(H,125,136)(H,126,146)(H,127,145)(H,154,155)(H4,103,104,107)(H4,105,106,108)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-,75-,76-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 87.1n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells by calcium mobilization assay


J Med Chem 52: 524-9 (2009)


Article DOI: 10.1021/jm8012294
BindingDB Entry DOI: 10.7270/Q2DR2WR9
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479766
PNG
(CHEMBL453962)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H156N30O28S/c1-48(2)71(120-69(132)43-107-89(148)73(51(5)128)122-83(142)60(30-21-38-104-93(101)102)114-84(143)63(116-76(135)55(97)45-124)40-53-22-10-8-11-23-53)87(146)105-44-70(133)121-72(50(4)127)88(147)106-42-68(131)109-62(33-39-152-7)81(140)111-57(27-15-18-35-95)78(137)112-58(28-16-19-36-96)82(141)123-74(52(6)129)90(149)118-65(46-125)86(145)117-64(41-54-24-12-9-13-25-54)85(144)115-61(31-32-67(98)130)80(139)113-59(29-20-37-103-92(99)100)77(136)108-49(3)75(134)110-56(26-14-17-34-94)79(138)119-66(47-126)91(150)151/h8-13,22-25,48-52,55-66,71-74,124-129H,14-21,26-47,94-97H2,1-7H3,(H2,98,130)(H,105,146)(H,106,147)(H,107,148)(H,108,136)(H,109,131)(H,110,134)(H,111,140)(H,112,137)(H,113,139)(H,114,143)(H,115,144)(H,116,135)(H,117,145)(H,118,149)(H,119,138)(H,120,132)(H,121,133)(H,122,142)(H,123,141)(H,150,151)(H4,99,100,103)(H4,101,102,104)/t49-,50+,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 102n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479774
PNG
(CHEMBL506383)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C92H151N29O29S/c1-47(2)72(119-70(131)42-103-77(135)63(40-68(99)129)116-82(140)59(29-31-67(98)128)113-85(143)61(114-76(134)53(96)44-122)38-51-20-9-7-10-21-51)88(146)104-43-71(132)120-73(49(4)125)89(147)105-41-69(130)107-60(32-37-151-6)83(141)109-55(25-14-17-34-94)79(137)110-56(26-15-18-35-95)84(142)121-74(50(5)126)90(148)117-64(45-123)87(145)115-62(39-52-22-11-8-12-23-52)86(144)112-58(28-30-66(97)127)81(139)111-57(27-19-36-102-92(100)101)78(136)106-48(3)75(133)108-54(24-13-16-33-93)80(138)118-65(46-124)91(149)150/h7-12,20-23,47-50,53-65,72-74,122-126H,13-19,24-46,93-96H2,1-6H3,(H2,97,127)(H2,98,128)(H2,99,129)(H,103,135)(H,104,146)(H,105,147)(H,106,136)(H,107,130)(H,108,133)(H,109,141)(H,110,137)(H,111,139)(H,112,144)(H,113,143)(H,114,134)(H,115,145)(H,116,140)(H,117,148)(H,118,138)(H,119,131)(H,120,132)(H,121,142)(H,149,150)(H4,100,101,102)/t48-,49+,50+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 129n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50477891
PNG
(CHEMBL401641)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C90H153N33O28S/c1-45(2)69(121-67(132)39-104-74(136)61(36-65(96)130)118-77(139)56(24-17-32-103-90(99)100)114-83(145)60(35-50-37-101-44-107-50)116-73(135)51(94)41-124)85(147)105-40-68(133)122-70(47(4)127)86(148)106-38-66(131)109-58(27-33-152-6)80(142)111-53(21-11-14-29-92)76(138)112-54(22-12-15-30-93)81(143)123-71(48(5)128)87(149)119-62(42-125)84(146)117-59(34-49-18-8-7-9-19-49)82(144)115-57(25-26-64(95)129)79(141)113-55(23-16-31-102-89(97)98)75(137)108-46(3)72(134)110-52(20-10-13-28-91)78(140)120-63(43-126)88(150)151/h7-9,18-19,37,44-48,51-63,69-71,124-128H,10-17,20-36,38-43,91-94H2,1-6H3,(H2,95,129)(H2,96,130)(H,101,107)(H,104,136)(H,105,147)(H,106,148)(H,108,137)(H,109,131)(H,110,134)(H,111,142)(H,112,138)(H,113,141)(H,114,145)(H,115,144)(H,116,135)(H,117,146)(H,118,139)(H,119,149)(H,120,140)(H,121,132)(H,122,133)(H,123,143)(H,150,151)(H4,97,98,102)(H4,99,100,103)/t46-,47+,48+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,69-,70-,71-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 132n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization


J Med Chem 51: 655-8 (2008)


Article DOI: 10.1021/jm701204n
BindingDB Entry DOI: 10.7270/Q2Z60RT7
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479761
PNG
(CHEMBL525447)
Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C92H152N28O28S/c1-8-22-55(108-85(141)62(113-76(132)54(96)45-121)39-52-23-11-9-12-24-52)79(135)115-64(41-68(98)127)77(133)102-43-70(129)118-72(48(2)3)88(144)103-44-71(130)119-73(50(5)124)89(145)104-42-69(128)106-61(33-38-149-7)83(139)109-57(28-16-19-35-94)80(136)110-58(29-17-20-36-95)84(140)120-74(51(6)125)90(146)116-65(46-122)87(143)114-63(40-53-25-13-10-14-26-53)86(142)112-60(31-32-67(97)126)82(138)111-59(30-21-37-101-92(99)100)78(134)105-49(4)75(131)107-56(27-15-18-34-93)81(137)117-66(47-123)91(147)148/h9-14,23-26,48-51,54-66,72-74,121-125H,8,15-22,27-47,93-96H2,1-7H3,(H2,97,126)(H2,98,127)(H,102,133)(H,103,144)(H,104,145)(H,105,134)(H,106,128)(H,107,131)(H,108,141)(H,109,139)(H,110,136)(H,111,138)(H,112,142)(H,113,132)(H,114,143)(H,115,135)(H,116,146)(H,117,137)(H,118,129)(H,119,130)(H,120,140)(H,147,148)(H4,99,100,101)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 135n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479771
PNG
(CHEMBL447434)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C93H154N30O29S/c1-48(2)72(121-70(132)43-105-77(136)64(41-68(99)130)118-80(139)59(29-20-37-104-93(102)152)114-85(144)62(116-76(135)54(97)45-124)39-52-21-9-7-10-22-52)88(147)106-44-71(133)122-73(50(4)127)89(148)107-42-69(131)109-61(32-38-153-6)83(142)111-56(26-14-17-34-95)79(138)112-57(27-15-18-35-96)84(143)123-74(51(5)128)90(149)119-65(46-125)87(146)117-63(40-53-23-11-8-12-24-53)86(145)115-60(30-31-67(98)129)82(141)113-58(28-19-36-103-92(100)101)78(137)108-49(3)75(134)110-55(25-13-16-33-94)81(140)120-66(47-126)91(150)151/h7-12,21-24,48-51,54-66,72-74,124-128H,13-20,25-47,94-97H2,1-6H3,(H2,98,129)(H2,99,130)(H,105,136)(H,106,147)(H,107,148)(H,108,137)(H,109,131)(H,110,134)(H,111,142)(H,112,138)(H,113,141)(H,114,144)(H,115,145)(H,116,135)(H,117,146)(H,118,139)(H,119,149)(H,120,140)(H,121,132)(H,122,133)(H,123,143)(H,150,151)(H4,100,101,103)(H3,102,104,152)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 166n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479775
PNG
(CHEMBL510673)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C91H151N29O28S/c1-47(2)71(118-69(129)42-102-76(133)63(40-67(98)127)115-81(138)59(30-35-95)112-84(141)61(113-75(132)53(96)44-121)38-51-20-9-7-10-21-51)87(144)103-43-70(130)119-72(49(4)124)88(145)104-41-68(128)106-60(31-37-149-6)82(139)108-55(25-14-17-33-93)78(135)109-56(26-15-18-34-94)83(140)120-73(50(5)125)89(146)116-64(45-122)86(143)114-62(39-52-22-11-8-12-23-52)85(142)111-58(28-29-66(97)126)80(137)110-57(27-19-36-101-91(99)100)77(134)105-48(3)74(131)107-54(24-13-16-32-92)79(136)117-65(46-123)90(147)148/h7-12,20-23,47-50,53-65,71-73,121-125H,13-19,24-46,92-96H2,1-6H3,(H2,97,126)(H2,98,127)(H,102,133)(H,103,144)(H,104,145)(H,105,134)(H,106,128)(H,107,131)(H,108,139)(H,109,135)(H,110,137)(H,111,142)(H,112,141)(H,113,132)(H,114,143)(H,115,138)(H,116,146)(H,117,136)(H,118,129)(H,119,130)(H,120,140)(H,147,148)(H4,99,100,101)/t48-,49+,50+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-,72-,73-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 204n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50412702
PNG
(CHEMBL526323)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C97H163N31O28S/c1-50(2)41-65(121-89(149)68(44-72(103)135)123-82(142)62(31-22-39-109-97(106)107)118-87(147)66(120-79(139)57(101)47-129)42-55-23-11-9-12-24-55)90(150)127-75(51(3)4)92(152)110-46-74(137)126-76(53(6)132)93(153)111-45-73(136)113-64(34-40-157-8)85(145)115-59(28-16-19-36-99)81(141)116-60(29-17-20-37-100)86(146)128-77(54(7)133)94(154)124-69(48-130)91(151)122-67(43-56-25-13-10-14-26-56)88(148)119-63(32-33-71(102)134)84(144)117-61(30-21-38-108-96(104)105)80(140)112-52(5)78(138)114-58(27-15-18-35-98)83(143)125-70(49-131)95(155)156/h9-14,23-26,50-54,57-70,75-77,129-133H,15-22,27-49,98-101H2,1-8H3,(H2,102,134)(H2,103,135)(H,110,152)(H,111,153)(H,112,140)(H,113,136)(H,114,138)(H,115,145)(H,116,141)(H,117,144)(H,118,147)(H,119,148)(H,120,139)(H,121,149)(H,122,151)(H,123,142)(H,124,154)(H,125,143)(H,126,137)(H,127,150)(H,128,146)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t52-,53+,54+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-,76-,77-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 229n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells by calcium mobilization assay


J Med Chem 52: 524-9 (2009)


Article DOI: 10.1021/jm8012294
BindingDB Entry DOI: 10.7270/Q2DR2WR9
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479776
PNG
(CHEMBL505996)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C90H149N29O28S/c1-46(2)70(117-68(128)41-101-75(132)61(38-66(97)126)113-84(141)62(39-94)114-83(140)59(111-74(131)52(95)43-120)36-50-20-9-7-10-21-50)86(143)102-42-69(129)118-71(48(4)123)87(144)103-40-67(127)105-58(30-35-148-6)80(137)107-54(25-14-17-32-92)77(134)108-55(26-15-18-33-93)81(138)119-72(49(5)124)88(145)115-63(44-121)85(142)112-60(37-51-22-11-8-12-23-51)82(139)110-57(28-29-65(96)125)79(136)109-56(27-19-34-100-90(98)99)76(133)104-47(3)73(130)106-53(24-13-16-31-91)78(135)116-64(45-122)89(146)147/h7-12,20-23,46-49,52-64,70-72,120-124H,13-19,24-45,91-95H2,1-6H3,(H2,96,125)(H2,97,126)(H,101,132)(H,102,143)(H,103,144)(H,104,133)(H,105,127)(H,106,130)(H,107,137)(H,108,134)(H,109,136)(H,110,139)(H,111,131)(H,112,142)(H,113,141)(H,114,140)(H,115,145)(H,116,135)(H,117,128)(H,118,129)(H,119,138)(H,146,147)(H4,98,99,100)/t47-,48+,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,70-,71-,72-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 240n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479768
PNG
(CHEMBL503441)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C90H148N28O28S2/c1-46(2)70(116-68(127)40-100-75(131)61(38-66(96)125)112-85(141)64(45-147)115-83(139)59(110-74(130)52(94)42-119)36-50-20-9-7-10-21-50)86(142)101-41-69(128)117-71(48(4)122)87(143)102-39-67(126)104-58(30-35-148-6)80(136)106-54(25-14-17-32-92)77(133)107-55(26-15-18-33-93)81(137)118-72(49(5)123)88(144)113-62(43-120)84(140)111-60(37-51-22-11-8-12-23-51)82(138)109-57(28-29-65(95)124)79(135)108-56(27-19-34-99-90(97)98)76(132)103-47(3)73(129)105-53(24-13-16-31-91)78(134)114-63(44-121)89(145)146/h7-12,20-23,46-49,52-64,70-72,119-123,147H,13-19,24-45,91-94H2,1-6H3,(H2,95,124)(H2,96,125)(H,100,131)(H,101,142)(H,102,143)(H,103,132)(H,104,126)(H,105,129)(H,106,136)(H,107,133)(H,108,135)(H,109,138)(H,110,130)(H,111,140)(H,112,141)(H,113,144)(H,114,134)(H,115,139)(H,116,127)(H,117,128)(H,118,137)(H,145,146)(H4,97,98,99)/t47-,48+,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,70-,71-,72-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 372n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50479762
PNG
(CHEMBL505174)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C91H150N28O28S/c1-8-54(106-84(140)61(112-75(131)53(95)44-120)38-51-22-11-9-12-23-51)77(133)114-63(40-67(97)126)76(132)101-42-69(128)117-71(47(2)3)87(143)102-43-70(129)118-72(49(5)123)88(144)103-41-68(127)105-60(32-37-148-7)82(138)108-56(27-16-19-34-93)79(135)109-57(28-17-20-35-94)83(139)119-73(50(6)124)89(145)115-64(45-121)86(142)113-62(39-52-24-13-10-14-25-52)85(141)111-59(30-31-66(96)125)81(137)110-58(29-21-36-100-91(98)99)78(134)104-48(4)74(130)107-55(26-15-18-33-92)80(136)116-65(46-122)90(146)147/h9-14,22-25,47-50,53-65,71-73,120-124H,8,15-21,26-46,92-95H2,1-7H3,(H2,96,125)(H2,97,126)(H,101,132)(H,102,143)(H,103,144)(H,104,134)(H,105,127)(H,106,140)(H,107,130)(H,108,138)(H,109,135)(H,110,137)(H,111,141)(H,112,131)(H,113,142)(H,114,133)(H,115,145)(H,116,136)(H,117,128)(H,118,129)(H,119,139)(H,146,147)(H4,98,99,100)/t48-,49+,50+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-,72-,73-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 513n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR


Bioorg Med Chem 16: 8841-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW
More data for this
Ligand-Target Pair
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