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Compile Data Set for Download or QSAR

Found 154 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide S receptor


(Homo sapiens)
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

DrugBank
GoogleScholar
AffyNet 
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


(Homo sapiens)
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

DrugBank
GoogleScholar
AffyNet 
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

GoogleScholar
AffyNet 
CHEMBL
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)
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

GoogleScholar
AffyNet 
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)
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

GoogleScholar
AffyNet 
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)
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

GoogleScholar
AffyNet 
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)
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

GoogleScholar
AffyNet 
CHEMBL
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)
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

GoogleScholar
AffyNet 
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

GoogleScholar
AffyNet 
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)
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

GoogleScholar
AffyNet 
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)
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

GoogleScholar
AffyNet 
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)
BDBM50413779
PNG
(CHEMBL500458)
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](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)c1ccccc1)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)=O
Show InChI InChI=1S/C96H154N30O26S/c1-51(2)74(124-93(150)77(57-28-14-9-15-29-57)126-88(145)68(46-71(102)132)121-82(139)62(34-23-42-108-96(105)106)116-86(143)66(119-79(136)58(100)49-127)44-55-24-10-7-11-25-55)90(147)109-48-73(134)123-75(53(4)129)91(148)110-47-72(133)112-64(37-43-153-6)84(141)113-59(30-16-19-38-97)81(138)114-60(31-17-20-39-98)85(142)125-76(54(5)130)92(149)122-69(50-128)89(146)120-67(45-56-26-12-8-13-27-56)87(144)117-63(35-36-70(101)131)83(140)115-61(33-22-41-107-95(103)104)80(137)111-52(3)78(135)118-65(94(151)152)32-18-21-40-99/h7-15,24-29,51-54,58-69,74-77,127-130H,16-23,30-50,97-100H2,1-6H3,(H2,101,131)(H2,102,132)(H,109,147)(H,110,148)(H,111,137)(H,112,133)(H,113,141)(H,114,138)(H,115,140)(H,116,143)(H,117,144)(H,118,135)(H,119,136)(H,120,146)(H,121,139)(H,122,149)(H,123,134)(H,124,150)(H,125,142)(H,126,145)(H,151,152)(H4,103,104,107)(H4,105,106,108)/t52-,53+,54+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-,75-,76-,77+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 661n/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)
BDBM50412706
PNG
(CHEMBL525398)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)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/C100H161N31O28S/c1-53(2)78(130-93(153)70(46-59-28-14-9-15-29-59)124-92(152)71(47-75(106)138)126-85(145)65(34-23-42-112-100(109)110)121-90(150)68(123-82(142)60(104)50-132)44-57-24-10-7-11-25-57)95(155)113-49-77(140)129-79(55(4)135)96(156)114-48-76(139)116-67(37-43-160-6)88(148)118-62(31-17-20-39-102)84(144)119-63(32-18-21-40-103)89(149)131-80(56(5)136)97(157)127-72(51-133)94(154)125-69(45-58-26-12-8-13-27-58)91(151)122-66(35-36-74(105)137)87(147)120-64(33-22-41-111-99(107)108)83(143)115-54(3)81(141)117-61(30-16-19-38-101)86(146)128-73(52-134)98(158)159/h7-15,24-29,53-56,60-73,78-80,132-136H,16-23,30-52,101-104H2,1-6H3,(H2,105,137)(H2,106,138)(H,113,155)(H,114,156)(H,115,143)(H,116,139)(H,117,141)(H,118,148)(H,119,144)(H,120,147)(H,121,150)(H,122,151)(H,123,142)(H,124,152)(H,125,154)(H,126,145)(H,127,157)(H,128,146)(H,129,140)(H,130,153)(H,131,149)(H,158,159)(H4,107,108,111)(H4,109,110,112)/t54-,55+,56+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,78-,79-,80-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 776n/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)
BDBM50413781
PNG
(CHEMBL509091)
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@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)=O
Show InChI InChI=1S/C92H154N30O27S/c1-47(2)70(120-89(147)73(51(6)127)122-84(142)64(42-67(98)129)117-78(136)58(30-21-38-104-92(101)102)112-82(140)62(115-75(133)54(96)45-123)40-52-22-10-8-11-23-52)86(144)105-44-69(131)119-71(49(4)125)87(145)106-43-68(130)108-60(33-39-150-7)80(138)109-55(26-14-17-34-93)77(135)110-56(27-15-18-35-94)81(139)121-72(50(5)126)88(146)118-65(46-124)85(143)116-63(41-53-24-12-9-13-25-53)83(141)113-59(31-32-66(97)128)79(137)111-57(29-20-37-103-91(99)100)76(134)107-48(3)74(132)114-61(90(148)149)28-16-19-36-95/h8-13,22-25,47-51,54-65,70-73,123-127H,14-21,26-46,93-96H2,1-7H3,(H2,97,128)(H2,98,129)(H,105,144)(H,106,145)(H,107,134)(H,108,130)(H,109,138)(H,110,135)(H,111,137)(H,112,140)(H,113,141)(H,114,132)(H,115,133)(H,116,143)(H,117,136)(H,118,146)(H,119,131)(H,120,147)(H,121,139)(H,122,142)(H,148,149)(H4,99,100,103)(H4,101,102,104)/t48-,49+,50+,51-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,70-,71-,72-,73+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 794n/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)
BDBM50413778
PNG
(CHEMBL500443)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](CC(C)(C)C)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)=O
Show InChI InChI=1S/C95H160N30O26S/c1-50(2)73(124-87(145)67(45-95(6,7)8)121-86(144)66(44-70(101)131)120-80(138)60(32-23-40-107-94(104)105)115-84(142)64(118-77(135)56(99)48-126)42-54-24-12-10-13-25-54)89(147)108-47-72(133)123-74(52(4)128)90(148)109-46-71(132)111-62(35-41-152-9)82(140)112-57(28-16-19-36-96)79(137)113-58(29-17-20-37-97)83(141)125-75(53(5)129)91(149)122-68(49-127)88(146)119-65(43-55-26-14-11-15-27-55)85(143)116-61(33-34-69(100)130)81(139)114-59(31-22-39-106-93(102)103)78(136)110-51(3)76(134)117-63(92(150)151)30-18-21-38-98/h10-15,24-27,50-53,56-68,73-75,126-129H,16-23,28-49,96-99H2,1-9H3,(H2,100,130)(H2,101,131)(H,108,147)(H,109,148)(H,110,136)(H,111,132)(H,112,140)(H,113,137)(H,114,139)(H,115,142)(H,116,143)(H,117,134)(H,118,135)(H,119,146)(H,120,138)(H,121,144)(H,122,149)(H,123,133)(H,124,145)(H,125,141)(H,150,151)(H4,102,103,106)(H4,104,105,107)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68-,73-,74-,75-/m0/s1
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n/an/an/an/a 1.66E+3n/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)
BDBM50413780
PNG
(CHEMBL507664)
Show SMILES CCC[C@@H](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(=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](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C93H156N30O26S/c1-8-23-56(110-86(143)66(44-69(99)129)119-79(136)60(32-22-40-105-93(102)103)114-84(141)64(117-76(133)55(97)47-124)42-53-24-11-9-12-25-53)82(139)122-72(49(2)3)88(145)106-46-71(131)121-73(51(5)126)89(146)107-45-70(130)109-62(35-41-150-7)81(138)111-57(28-15-18-36-94)78(135)112-58(29-16-19-37-95)83(140)123-74(52(6)127)90(147)120-67(48-125)87(144)118-65(43-54-26-13-10-14-27-54)85(142)115-61(33-34-68(98)128)80(137)113-59(31-21-39-104-92(100)101)77(134)108-50(4)75(132)116-63(91(148)149)30-17-20-38-96/h9-14,24-27,49-52,55-67,72-74,124-127H,8,15-23,28-48,94-97H2,1-7H3,(H2,98,128)(H2,99,129)(H,106,145)(H,107,146)(H,108,134)(H,109,130)(H,110,143)(H,111,138)(H,112,135)(H,113,137)(H,114,141)(H,115,142)(H,116,132)(H,117,133)(H,118,144)(H,119,136)(H,120,147)(H,121,131)(H,122,139)(H,123,140)(H,148,149)(H4,100,101,104)(H4,102,103,105)/t50-,51+,52+,55-,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-/m0/s1
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n/an/an/an/a 2.69E+3n/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)
BDBM50423102
PNG
(CHEMBL267479)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C(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/C95H159N31O28S/c1-49(2)72(125-92(154)95(6,7)126-87(148)65(43-69(101)133)120-79(140)60(31-22-39-107-94(104)105)116-84(145)63(118-76(137)55(99)46-127)41-53-23-11-9-12-24-53)88(149)108-45-71(135)123-73(51(4)130)89(150)109-44-70(134)111-62(34-40-155-8)82(143)113-57(28-16-19-36-97)78(139)114-58(29-17-20-37-98)83(144)124-74(52(5)131)90(151)121-66(47-128)86(147)119-64(42-54-25-13-10-14-26-54)85(146)117-61(32-33-68(100)132)81(142)115-59(30-21-38-106-93(102)103)77(138)110-50(3)75(136)112-56(27-15-18-35-96)80(141)122-67(48-129)91(152)153/h9-14,23-26,49-52,55-67,72-74,127-131H,15-22,27-48,96-99H2,1-8H3,(H2,100,132)(H2,101,133)(H,108,149)(H,109,150)(H,110,138)(H,111,134)(H,112,136)(H,113,143)(H,114,139)(H,115,142)(H,116,145)(H,117,146)(H,118,137)(H,119,147)(H,120,140)(H,121,151)(H,122,141)(H,123,135)(H,124,144)(H,125,154)(H,126,148)(H,152,153)(H4,102,103,106)(H4,104,105,107)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-/m0/s1
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n/an/a 1.62E+3n/an/an/an/an/an/a



Istituto di Chimica Biomolecolare

Curated by ChEMBL


Assay Description
Antagonist activity at mouse NPSR expressed in HEK293 cells assessed as inhibition of 100 nM hNPS-induced calcium mobilization


J Med Chem 50: 4501-8 (2007)


Article DOI: 10.1021/jm0706822
BindingDB Entry DOI: 10.7270/Q23F4QZS
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50423102
PNG
(CHEMBL267479)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C(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/C95H159N31O28S/c1-49(2)72(125-92(154)95(6,7)126-87(148)65(43-69(101)133)120-79(140)60(31-22-39-107-94(104)105)116-84(145)63(118-76(137)55(99)46-127)41-53-23-11-9-12-24-53)88(149)108-45-71(135)123-73(51(4)130)89(150)109-44-70(134)111-62(34-40-155-8)82(143)113-57(28-16-19-36-97)78(139)114-58(29-17-20-37-98)83(144)124-74(52(5)131)90(151)121-66(47-128)86(147)119-64(42-54-25-13-10-14-26-54)85(146)117-61(32-33-68(100)132)81(142)115-59(30-21-38-106-93(102)103)77(138)110-50(3)75(136)112-56(27-15-18-35-96)80(141)122-67(48-129)91(152)153/h9-14,23-26,49-52,55-67,72-74,127-131H,15-22,27-48,96-99H2,1-8H3,(H2,100,132)(H2,101,133)(H,108,149)(H,109,150)(H,110,138)(H,111,134)(H,112,136)(H,113,143)(H,114,139)(H,115,142)(H,116,145)(H,117,146)(H,118,137)(H,119,147)(H,120,140)(H,121,151)(H,122,141)(H,123,135)(H,124,144)(H,125,154)(H,126,148)(H,152,153)(H4,102,103,106)(H4,104,105,107)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-/m0/s1
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n/an/a 537n/an/an/an/an/an/a



Istituto di Chimica Biomolecolare

Curated by ChEMBL


Assay Description
Antagonist activity at mouse NPSR expressed in HEK293 cells assessed as inhibition of 10 nM hNPS-induced calcium mobilization


J Med Chem 50: 4501-8 (2007)


Article DOI: 10.1021/jm0706822
BindingDB Entry DOI: 10.7270/Q23F4QZS
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322831
PNG
(CHEMBL1210178 | N-((1-methyl-2-oxo-1,2-dihydroquin...)
Show SMILES CC(CCN1CCCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C26H37N3O2/c1-20(14-17-28-15-8-9-16-28)29(26(31)21-10-4-3-5-11-21)19-23-18-22-12-6-7-13-24(22)27(2)25(23)30/h6-7,12-13,18,20-21H,3-5,8-11,14-17,19H2,1-2H3
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n/an/a 1.58E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322832
PNG
(CHEMBL1210179 | N-((1-methyl-2-oxo-1,2-dihydroquin...)
Show SMILES CC(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C26H37N3O3/c1-20(12-13-28-14-16-32-17-15-28)29(26(31)21-8-4-3-5-9-21)19-23-18-22-10-6-7-11-24(22)27(2)25(23)30/h6-7,10-11,18,20-21H,3-5,8-9,12-17,19H2,1-2H3
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n/an/a 725n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322833
PNG
(CHEMBL1210241 | N-((1-methyl-2-oxo-1,2-dihydroquin...)
Show SMILES Cn1c2ccccc2cc(CN(C(=O)C2CCCCC2)C(C)(C)CCN2CCCC2)c1=O
Show InChI InChI=1S/C27H39N3O2/c1-27(2,15-18-29-16-9-10-17-29)30(26(32)21-11-5-4-6-12-21)20-23-19-22-13-7-8-14-24(22)28(3)25(23)31/h7-8,13-14,19,21H,4-6,9-12,15-18,20H2,1-3H3
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n/an/a 326n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322834
PNG
(CHEMBL1210242 | N-((1-methyl-2-oxo-1,2-dihydroquin...)
Show SMILES Cn1c2ccccc2cc(CN(C(=O)C2CCCCC2)C(C)(C)CCN2CCCCC2)c1=O
Show InChI InChI=1S/C28H41N3O2/c1-28(2,16-19-30-17-10-5-11-18-30)31(27(33)22-12-6-4-7-13-22)21-24-20-23-14-8-9-15-25(23)29(3)26(24)32/h8-9,14-15,20,22H,4-7,10-13,16-19,21H2,1-3H3
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322835
PNG
(CHEMBL1210243 | N-((1-methyl-2-oxo-1,2-dihydroquin...)
Show SMILES Cn1c2ccccc2cc(CN(C(=O)C2CCCCC2)C(C)(C)CCN2CCOCC2)c1=O
Show InChI InChI=1S/C27H39N3O3/c1-27(2,13-14-29-15-17-33-18-16-29)30(26(32)21-9-5-4-6-10-21)20-23-19-22-11-7-8-12-24(22)28(3)25(23)31/h7-8,11-12,19,21H,4-6,9-10,13-18,20H2,1-3H3
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n/an/a 144n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322836
PNG
(CHEMBL1210244 | rac-N-(3-methyl-1-(piperidin-1-yl)...)
Show SMILES CCC(C)(CCN1CCCCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C29H43N3O2/c1-4-29(2,17-20-31-18-11-6-12-19-31)32(28(34)23-13-7-5-8-14-23)22-25-21-24-15-9-10-16-26(24)30(3)27(25)33/h9-10,15-16,21,23H,4-8,11-14,17-20,22H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322837
PNG
(CHEMBL1210311 | rac-N-(1-(4-fluoropiperidin-1-yl)-...)
Show SMILES CCC(C)(CCN1CCC(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C29H42FN3O2/c1-4-29(2,16-19-32-17-14-25(30)15-18-32)33(28(35)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-26(23)31(3)27(24)34/h8-9,12-13,20,22,25H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322838
PNG
(CHEMBL1210312 | rac-N-(1-(4,4-difluoropiperidin-1-...)
Show SMILES CCC(C)(CCN1CCC(F)(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C29H41F2N3O2/c1-4-28(2,14-17-33-18-15-29(30,31)16-19-33)34(27(36)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)32(3)26(24)35/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322839
PNG
(CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...)
Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322839
PNG
(CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...)
Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322839
PNG
(CHEMBL1210313 | N-(3-methyl-1-morpholinopentan-3-y...)
Show SMILES CCC(C)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3
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n/an/a 785n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322840
PNG
(CHEMBL1210411 | rac-N-(3-ethyl-1-morpholinopentan-...)
Show SMILES CCC(CC)(CCN1CCOCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C29H43N3O3/c1-4-29(5-2,15-16-31-17-19-35-20-18-31)32(28(34)23-11-7-6-8-12-23)22-25-21-24-13-9-10-14-26(24)30(3)27(25)33/h9-10,13-14,21,23H,4-8,11-12,15-20,22H2,1-3H3
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n/an/a 103n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322841
PNG
(CHEMBL1210412 | rac-N-((1-methyl-2-oxo-1,2-dihydro...)
Show SMILES Cn1c2ccccc2cc(CN(C(=O)C2CCCCC2)C2(CCN3CCOCC3)CCCCC2)c1=O
Show InChI InChI=1S/C30H43N3O3/c1-31-27-13-7-6-12-25(27)22-26(28(31)34)23-33(29(35)24-10-4-2-5-11-24)30(14-8-3-9-15-30)16-17-32-18-20-36-21-19-32/h6-7,12-13,22,24H,2-5,8-11,14-21,23H2,1H3
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n/an/a 398n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50322842
PNG
(CHEMBL1210177 | N-((1-methyl-2-oxo-1,2-dihydroquin...)
Show SMILES CN1CCN(CC1)C1(CN(Cc2cc3ccccc3n(C)c2=O)C(=O)C2CCCCC2)CCCCC1
Show InChI InChI=1S/C30H44N4O2/c1-31-17-19-34(20-18-31)30(15-9-4-10-16-30)23-33(29(36)24-11-5-3-6-12-24)22-26-21-25-13-7-8-14-27(25)32(2)28(26)35/h7-8,13-14,21,24H,3-6,9-12,15-20,22-23H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4700-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.143
BindingDB Entry DOI: 10.7270/Q2PR7W6H
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348586
PNG
(CHEMBL1801267)
Show SMILES Brc1ccc(cc1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H17BrN2/c24-19-12-10-18(11-13-19)23(16-17-6-2-1-3-7-17)21-9-5-4-8-20(21)22-25-14-15-26(22)23/h1-15H,16H2
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n/an/a 380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348586
PNG
(CHEMBL1801267)
Show SMILES Brc1ccc(cc1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H17BrN2/c24-19-12-10-18(11-13-19)23(16-17-6-2-1-3-7-17)21-9-5-4-8-20(21)22-25-14-15-26(22)23/h1-15H,16H2
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n/an/a 163n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348587
PNG
(CHEMBL1801268)
Show SMILES Brc1ccc(cc1)C1(Cc2ccccc2C#N)c2ccccc2-c2nccn12
Show InChI InChI=1S/C24H16BrN3/c25-20-11-9-19(10-12-20)24(15-17-5-1-2-6-18(17)16-26)22-8-4-3-7-21(22)23-27-13-14-28(23)24/h1-14H,15H2
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n/an/a 369n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348588
PNG
(CHEMBL1801269)
Show SMILES Brc1ccc(cc1)C1(Cc2cccnc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C22H16BrN3/c23-18-9-7-17(8-10-18)22(14-16-4-3-11-24-15-16)20-6-2-1-5-19(20)21-25-12-13-26(21)22/h1-13,15H,14H2
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n/an/a 351n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348589
PNG
(CHEMBL1801270)
Show SMILES Brc1ccc(cc1)C1(CC2CCCCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H23BrN2/c24-19-12-10-18(11-13-19)23(16-17-6-2-1-3-7-17)21-9-5-4-8-20(21)22-25-14-15-26(22)23/h4-5,8-15,17H,1-3,6-7,16H2
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n/an/a 254n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348590
PNG
(CHEMBL1801271)
Show SMILES Brc1ccc(cc1)C1(CC2CCCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C22H21BrN2/c23-18-11-9-17(10-12-18)22(15-16-5-1-2-6-16)20-8-4-3-7-19(20)21-24-13-14-25(21)22/h3-4,7-14,16H,1-2,5-6,15H2
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n/an/a 321n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348591
PNG
(CHEMBL1801272)
Show SMILES Brc1ccc(cc1)C1(CC2CCOCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C22H21BrN2O/c23-18-7-5-17(6-8-18)22(15-16-9-13-26-14-10-16)20-4-2-1-3-19(20)21-24-11-12-25(21)22/h1-8,11-12,16H,9-10,13-15H2
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n/an/a 92n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348592
PNG
(CHEMBL1801317)
Show SMILES Brc1ccc(cc1)C1(CCC2CCOCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H23BrN2O/c24-19-7-5-18(6-8-19)23(12-9-17-10-15-27-16-11-17)21-4-2-1-3-20(21)22-25-13-14-26(22)23/h1-8,13-14,17H,9-12,15-16H2
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n/an/a 154n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348593
PNG
(CHEMBL1801318)
Show SMILES Fc1ccc(cc1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H17FN2/c24-19-12-10-18(11-13-19)23(16-17-6-2-1-3-7-17)21-9-5-4-8-20(21)22-25-14-15-26(22)23/h1-15H,16H2
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n/an/a 336n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348594
PNG
(CHEMBL1801319)
Show SMILES Clc1ccc(cc1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H17ClN2/c24-19-12-10-18(11-13-19)23(16-17-6-2-1-3-7-17)21-9-5-4-8-20(21)22-25-14-15-26(22)23/h1-15H,16H2
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n/an/a 358n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348595
PNG
(CHEMBL1801320)
Show SMILES Cc1ccc(cc1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C24H20N2/c1-18-11-13-20(14-12-18)24(17-19-7-3-2-4-8-19)22-10-6-5-9-21(22)23-25-15-16-26(23)24/h2-16H,17H2,1H3
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n/an/a 1.33E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348596
PNG
(CHEMBL1801321)
Show SMILES N#Cc1ccc(cc1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C24H17N3/c25-17-19-10-12-20(13-11-19)24(16-18-6-2-1-3-7-18)22-9-5-4-8-21(22)23-26-14-15-27(23)24/h1-15H,16H2
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n/an/a 387n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348597
PNG
(CHEMBL1801322)
Show SMILES Brc1cccc(c1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H17BrN2/c24-19-10-6-9-18(15-19)23(16-17-7-2-1-3-8-17)21-12-5-4-11-20(21)22-25-13-14-26(22)23/h1-15H,16H2
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n/an/a 1.73E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348598
PNG
(CHEMBL1801323)
Show SMILES N#Cc1cccc(c1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C24H17N3/c25-17-19-9-6-10-20(15-19)24(16-18-7-2-1-3-8-18)22-12-5-4-11-21(22)23-26-13-14-27(23)24/h1-15H,16H2
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n/an/a 3.17E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348599
PNG
(CHEMBL1801324)
Show SMILES Brc1ccc(cn1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C22H16BrN3/c23-20-11-10-17(15-25-20)22(14-16-6-2-1-3-7-16)19-9-5-4-8-18(19)21-24-12-13-26(21)22/h1-13,15H,14H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348600
PNG
(CHEMBL1801325)
Show SMILES Brc1ccc(nc1)C1(Cc2ccccc2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C22H16BrN3/c23-17-10-11-20(25-15-17)22(14-16-6-2-1-3-7-16)19-9-5-4-8-18(19)21-24-12-13-26(21)22/h1-13,15H,14H2
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n/an/a 2.18E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348601
PNG
(CHEMBL1801326)
Show SMILES N#Cc1ccc(cc1)C1(CC2CCOCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H21N3O/c24-16-18-5-7-19(8-6-18)23(15-17-9-13-27-14-10-17)21-4-2-1-3-20(21)22-25-11-12-26(22)23/h1-8,11-12,17H,9-10,13-15H2
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Article
PubMed
n/an/a 635n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Homo sapiens)
BDBM50348602
PNG
(CHEMBL1800088)
Show SMILES Fc1ccc(cc1)C1(CC2CCOCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C22H21FN2O/c23-18-7-5-17(6-8-18)22(15-16-9-13-26-14-10-16)20-4-2-1-3-19(20)21-24-11-12-25(21)22/h1-8,11-12,16H,9-10,13-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...


Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair
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