Found 247 hits with Last Name = 'ruzza' and Initial = 'c' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neuropeptide S receptor
(Homo sapiens (Human)) | BDBM50443391
(CHEMBL469695)Show SMILES Fc1ccc(CNC(=O)N2CCN3C(C2)C(OC3=O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human NPSR by radioligand binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02223
BindingDB Entry DOI: 10.7270/Q2NG4VKT |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50413782
(CHEMBL1627325)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])C([#6])([#6])[#6])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C97H163N31O28S/c1-50(2)73(126-93(154)76(97(6,7)8)128-88(149)66(44-70(103)135)122-81(142)61(32-23-40-109-96(106)107)118-86(147)64(120-78(139)56(101)47-129)42-54-24-12-10-13-25-54)90(151)110-46-72(137)125-74(52(4)132)91(152)111-45-71(136)113-63(35-41-157-9)84(145)115-58(29-17-20-37-99)80(141)116-59(30-18-21-38-100)85(146)127-75(53(5)133)92(153)123-67(48-130)89(150)121-65(43-55-26-14-11-15-27-55)87(148)119-62(33-34-69(102)134)83(144)117-60(31-22-39-108-95(104)105)79(140)112-51(3)77(138)114-57(28-16-19-36-98)82(143)124-68(49-131)94(155)156/h10-15,24-27,50-53,56-68,73-76,129-133H,16-23,28-49,98-101H2,1-9H3,(H2,102,134)(H2,103,135)(H,110,151)(H,111,152)(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,121,150)(H,122,142)(H,123,153)(H,124,143)(H,125,137)(H,126,154)(H,127,146)(H,128,149)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-,76-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant delta opioid receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of DPDPE-induced i... |
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 | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50004178
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.389 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant NOP receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of N/OFQ-induced intracellu... |
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 | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50001683
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant delta opioid receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of DPDPE-induced i... |
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) | BDBM50412700
(CHEMBL526492)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r| 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/a | n/a | n/a | n/a | 70.8 | n/a | n/a | n/a | n/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
(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 |r| 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/a | n/a | n/a | n/a | 2.24 | n/a | n/a | n/a | n/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
(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 |r| 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/a | n/a | n/a | n/a | 229 | n/a | n/a | n/a | n/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
(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 |r| 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/a | n/a | n/a | n/a | 66.1 | n/a | n/a | n/a | n/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
(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 |r| 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/a | n/a | n/a | n/a | 87.1 | n/a | n/a | n/a | n/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) | BDBM50412705
(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 |r| 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
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 13.8 | n/a | n/a | n/a | n/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) | BDBM50412706
(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 |r| 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/a | n/a | n/a | n/a | 776 | n/a | n/a | n/a | n/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
(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 |r| 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
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.24 | n/a | n/a | n/a | n/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
(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 |r| 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
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.80 | n/a | n/a | n/a | n/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
(CHEMBL500443)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]C([#6])([#6])[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O |r| 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/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) | BDBM50413779
(CHEMBL500458)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-c1ccccc1)-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O |r| 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/a | n/a | n/a | n/a | 661 | n/a | n/a | n/a | n/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
(CHEMBL507664)Show SMILES [#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O |r| 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.69E+3 | n/a | n/a | n/a | n/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) | BDBM50413781
(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 |r| 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/a | n/a | n/a | n/a | 794 | n/a | n/a | n/a | n/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 | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50413782
(CHEMBL1627325)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])C([#6])([#6])[#6])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C97H163N31O28S/c1-50(2)73(126-93(154)76(97(6,7)8)128-88(149)66(44-70(103)135)122-81(142)61(32-23-40-109-96(106)107)118-86(147)64(120-78(139)56(101)47-129)42-54-24-12-10-13-25-54)90(151)110-46-72(137)125-74(52(4)132)91(152)111-45-71(136)113-63(35-41-157-9)84(145)115-58(29-17-20-37-99)80(141)116-59(30-18-21-38-100)85(146)127-75(53(5)133)92(153)123-67(48-130)89(150)121-65(43-55-26-14-11-15-27-55)87(148)119-62(33-34-69(102)134)83(144)117-60(31-22-39-108-95(104)105)79(140)112-51(3)77(138)114-57(28-16-19-36-98)82(143)124-68(49-131)94(155)156/h10-15,24-27,50-53,56-68,73-76,129-133H,16-23,28-49,98-101H2,1-9H3,(H2,102,134)(H2,103,135)(H,110,151)(H,111,152)(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,121,150)(H,122,142)(H,123,153)(H,124,143)(H,125,137)(H,126,154)(H,127,146)(H,128,149)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-,76-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0490 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant NK1 receptor expressed in CHO cells assessed as inhibition of NPS-induced intracellular calcium mobilization |
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 | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50413782
(CHEMBL1627325)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])C([#6])([#6])[#6])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C97H163N31O28S/c1-50(2)73(126-93(154)76(97(6,7)8)128-88(149)66(44-70(103)135)122-81(142)61(32-23-40-109-96(106)107)118-86(147)64(120-78(139)56(101)47-129)42-54-24-12-10-13-25-54)90(151)110-46-72(137)125-74(52(4)132)91(152)111-45-71(136)113-63(35-41-157-9)84(145)115-58(29-17-20-37-99)80(141)116-59(30-18-21-38-100)85(146)127-75(53(5)133)92(153)123-67(48-130)89(150)121-65(43-55-26-14-11-15-27-55)87(148)119-62(33-34-69(102)134)83(144)117-60(31-22-39-108-95(104)105)79(140)112-51(3)77(138)114-57(28-16-19-36-98)82(143)124-68(49-131)94(155)156/h10-15,24-27,50-53,56-68,73-76,129-133H,16-23,28-49,98-101H2,1-9H3,(H2,102,134)(H2,103,135)(H,110,151)(H,111,152)(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,121,150)(H,122,142)(H,123,153)(H,124,143)(H,125,137)(H,126,154)(H,127,146)(H,128,149)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-,76-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0339 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant bradykinin 2 receptor expressed in CHO cells assessed as inhibition of bradykinin-induced intracellular calc... |
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 | |
Urotensin-2 receptor
(Homo sapiens (Human)) | BDBM50413782
(CHEMBL1627325)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])C([#6])([#6])[#6])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C97H163N31O28S/c1-50(2)73(126-93(154)76(97(6,7)8)128-88(149)66(44-70(103)135)122-81(142)61(32-23-40-109-96(106)107)118-86(147)64(120-78(139)56(101)47-129)42-54-24-12-10-13-25-54)90(151)110-46-72(137)125-74(52(4)132)91(152)111-45-71(136)113-63(35-41-157-9)84(145)115-58(29-17-20-37-99)80(141)116-59(30-18-21-38-100)85(146)127-75(53(5)133)92(153)123-67(48-130)89(150)121-65(43-55-26-14-11-15-27-55)87(148)119-62(33-34-69(102)134)83(144)117-60(31-22-39-108-95(104)105)79(140)112-51(3)77(138)114-57(28-16-19-36-98)82(143)124-68(49-131)94(155)156/h10-15,24-27,50-53,56-68,73-76,129-133H,16-23,28-49,98-101H2,1-9H3,(H2,102,134)(H2,103,135)(H,110,151)(H,111,152)(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,121,150)(H,122,142)(H,123,153)(H,124,143)(H,125,137)(H,126,154)(H,127,146)(H,128,149)(H,155,156)(H4,104,105,108)(H4,106,107,109)/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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in CHO cells assessed as inhibition of urotensin 2-induced intracellular calc... |
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 | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50413782
(CHEMBL1627325)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])C([#6])([#6])[#6])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C97H163N31O28S/c1-50(2)73(126-93(154)76(97(6,7)8)128-88(149)66(44-70(103)135)122-81(142)61(32-23-40-109-96(106)107)118-86(147)64(120-78(139)56(101)47-129)42-54-24-12-10-13-25-54)90(151)110-46-72(137)125-74(52(4)132)91(152)111-45-71(136)113-63(35-41-157-9)84(145)115-58(29-17-20-37-99)80(141)116-59(30-18-21-38-100)85(146)127-75(53(5)133)92(153)123-67(48-130)89(150)121-65(43-55-26-14-11-15-27-55)87(148)119-62(33-34-69(102)134)83(144)117-60(31-22-39-108-95(104)105)79(140)112-51(3)77(138)114-57(28-16-19-36-98)82(143)124-68(49-131)94(155)156/h10-15,24-27,50-53,56-68,73-76,129-133H,16-23,28-49,98-101H2,1-9H3,(H2,102,134)(H2,103,135)(H,110,151)(H,111,152)(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,121,150)(H,122,142)(H,123,153)(H,124,143)(H,125,137)(H,126,154)(H,127,146)(H,128,149)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-,76-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant mu opioid receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of dermorphin-induced... |
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 | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50413782
(CHEMBL1627325)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])C([#6])([#6])[#6])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C97H163N31O28S/c1-50(2)73(126-93(154)76(97(6,7)8)128-88(149)66(44-70(103)135)122-81(142)61(32-23-40-109-96(106)107)118-86(147)64(120-78(139)56(101)47-129)42-54-24-12-10-13-25-54)90(151)110-46-72(137)125-74(52(4)132)91(152)111-45-71(136)113-63(35-41-157-9)84(145)115-58(29-17-20-37-99)80(141)116-59(30-18-21-38-100)85(146)127-75(53(5)133)92(153)123-67(48-130)89(150)121-65(43-55-26-14-11-15-27-55)87(148)119-62(33-34-69(102)134)83(144)117-60(31-22-39-108-95(104)105)79(140)112-51(3)77(138)114-57(28-16-19-36-98)82(143)124-68(49-131)94(155)156/h10-15,24-27,50-53,56-68,73-76,129-133H,16-23,28-49,98-101H2,1-9H3,(H2,102,134)(H2,103,135)(H,110,151)(H,111,152)(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,121,150)(H,122,142)(H,123,153)(H,124,143)(H,125,137)(H,126,154)(H,127,146)(H,128,149)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-,76-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant kappa opioid receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of dynorphin A-ind... |
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 | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50413782
(CHEMBL1627325)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])C([#6])([#6])[#6])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C97H163N31O28S/c1-50(2)73(126-93(154)76(97(6,7)8)128-88(149)66(44-70(103)135)122-81(142)61(32-23-40-109-96(106)107)118-86(147)64(120-78(139)56(101)47-129)42-54-24-12-10-13-25-54)90(151)110-46-72(137)125-74(52(4)132)91(152)111-45-71(136)113-63(35-41-157-9)84(145)115-58(29-17-20-37-99)80(141)116-59(30-18-21-38-100)85(146)127-75(53(5)133)92(153)123-67(48-130)89(150)121-65(43-55-26-14-11-15-27-55)87(148)119-62(33-34-69(102)134)83(144)117-60(31-22-39-108-95(104)105)79(140)112-51(3)77(138)114-57(28-16-19-36-98)82(143)124-68(49-131)94(155)156/h10-15,24-27,50-53,56-68,73-76,129-133H,16-23,28-49,98-101H2,1-9H3,(H2,102,134)(H2,103,135)(H,110,151)(H,111,152)(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,121,150)(H,122,142)(H,123,153)(H,124,143)(H,125,137)(H,126,154)(H,127,146)(H,128,149)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-,76-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.282 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant NOP receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of N/OFQ-induced intracellu... |
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 | |
Proteinase-activated receptor 2
(Homo sapiens (Human)) | BDBM50413782
(CHEMBL1627325)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])C([#6])([#6])[#6])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C97H163N31O28S/c1-50(2)73(126-93(154)76(97(6,7)8)128-88(149)66(44-70(103)135)122-81(142)61(32-23-40-109-96(106)107)118-86(147)64(120-78(139)56(101)47-129)42-54-24-12-10-13-25-54)90(151)110-46-72(137)125-74(52(4)132)91(152)111-45-71(136)113-63(35-41-157-9)84(145)115-58(29-17-20-37-99)80(141)116-59(30-18-21-38-100)85(146)127-75(53(5)133)92(153)123-67(48-130)89(150)121-65(43-55-26-14-11-15-27-55)87(148)119-62(33-34-69(102)134)83(144)117-60(31-22-39-108-95(104)105)79(140)112-51(3)77(138)114-57(28-16-19-36-98)82(143)124-68(49-131)94(155)156/h10-15,24-27,50-53,56-68,73-76,129-133H,16-23,28-49,98-101H2,1-9H3,(H2,102,134)(H2,103,135)(H,110,151)(H,111,152)(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,121,150)(H,122,142)(H,123,153)(H,124,143)(H,125,137)(H,126,154)(H,127,146)(H,128,149)(H,155,156)(H4,104,105,108)(H4,106,107,109)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-,76-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant PAR2 expressed in A549 cells assessed as inhibition of SLIGKV-NH2-induced intracellular calcium mobilization |
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 | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50001450
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0575 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant NK1 receptor expressed in CHO cells assessed as inhibition of NPS-induced intracellular calcium mobilization |
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 | |
Proteinase-activated receptor 2
(Homo sapiens (Human)) | BDBM50413783
(CHEMBL443719)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C28H53N7O8/c1-7-17(6)23(35-26(40)20(12-15(2)3)33-24(38)18(30)14-36)27(41)31-13-21(37)32-19(10-8-9-11-29)25(39)34-22(16(4)5)28(42)43/h15-20,22-23,36H,7-14,29-30H2,1-6H3,(H,31,41)(H,32,37)(H,33,38)(H,34,39)(H,35,40)(H,42,43)/t17-,18-,19-,20-,22-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.82E+4 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant PAR2 expressed in A549 cells assessed as inhibition of SLIGKV-NH2-induced intracellular calcium mobilization |
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 | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50010702
(CHEMBL411557 | DYNORPHIN(1-17)-OH | Dynorphin A (1...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:38.46,19.26,4.4,2.2,88.90,128.132,144.148,70.71,105.107,wD:57.58,30.34,8.15,84.87,97.99,114.116,136.140,(27.24,-21.93,;25.83,-21.28,;25.7,-19.76,;26.97,-18.87,;24.28,-19.11,;24.14,-17.56,;25.39,-16.68,;26.8,-17.34,;25.25,-15.13,;23.87,-14.49,;23.73,-12.97,;22.32,-12.32,;22.18,-10.79,;20.78,-10.14,;19.51,-11.03,;20.63,-8.6,;26.5,-14.25,;26.41,-12.7,;25.05,-12.02,;27.68,-11.87,;29.07,-12.56,;30.37,-11.71,;31.74,-12.4,;33.01,-11.53,;34.37,-12.24,;34.46,-13.77,;35.67,-11.39,;27.59,-10.31,;28.87,-9.48,;30.26,-10.18,;28.78,-7.92,;27.42,-7.24,;26.12,-8.09,;24.76,-7.41,;26.21,-9.64,;30.05,-7.09,;29.97,-5.53,;28.6,-4.85,;31.24,-4.7,;32.63,-5.4,;32.72,-6.92,;31.45,-7.77,;31.55,-9.31,;32.93,-9.99,;34.21,-9.14,;34.11,-7.6,;31.15,-3.14,;32.43,-2.31,;33.81,-3.01,;32.34,-.76,;33.61,.08,;33.52,1.63,;32.16,2.32,;34.8,2.47,;34.71,4.01,;36,4.86,;37.37,4.17,;35.91,6.4,;37.19,7.24,;34.53,7.1,;33.23,6.24,;33.34,4.69,;32.06,3.84,;30.68,4.52,;29.39,3.71,;30.58,6.06,;31.86,6.91,;23.04,-19.99,;21.65,-19.34,;23.18,-21.52,;21.92,-22.42,;22.06,-23.97,;20.82,-24.84,;19.43,-24.2,;18.16,-25.1,;16.78,-24.46,;16.64,-22.94,;15.51,-25.35,;20.12,-21.58,;18.85,-22.48,;19.94,-19.61,;21.09,-18.4,;20.31,-16.91,;18.66,-17.19,;18.69,-18.75,;17.33,-19.47,;17.28,-21.01,;16.02,-18.66,;14.66,-19.38,;14.61,-20.92,;13.25,-21.64,;13.2,-23.18,;11.84,-23.91,;11.79,-25.45,;13.36,-18.57,;13.41,-17.03,;12,-19.29,;10.69,-18.48,;10.74,-16.94,;9.44,-16.12,;9.49,-14.58,;8.08,-16.85,;9.33,-19.2,;9.28,-20.74,;8.03,-18.39,;6.67,-19.11,;6.61,-20.65,;5.26,-21.37,;5.2,-22.91,;3.85,-23.64,;3.79,-25.18,;5.36,-18.3,;5.41,-16.76,;4,-19.02,;2.69,-18.21,;2.75,-16.67,;1.44,-15.85,;.01,-16.43,;-.98,-15.25,;-.16,-13.95,;-.59,-12.47,;.48,-11.36,;1.97,-11.73,;2.4,-13.21,;1.33,-14.32,;1.34,-18.93,;1.28,-20.47,;.03,-18.12,;-1.33,-18.84,;-1.38,-20.38,;-2.74,-21.1,;-4.05,-20.29,;-2.79,-22.64,;-2.64,-18.03,;-2.59,-16.49,;-4,-18.75,;-5.3,-17.94,;-5.25,-16.4,;-6.56,-15.58,;-7.92,-16.31,;-6.51,-14.04,;-6.66,-18.66,;-6.71,-20.2,;-7.97,-17.85,;-9.33,-18.57,;-9.38,-20.11,;-10.74,-20.83,;-10.79,-22.37,;-9.48,-23.19,;-12.15,-23.1,;-10.63,-17.76,;-11.99,-18.48,;-10.58,-16.22,)| Show InChI InChI=1S/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant kappa opioid receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of dynorphin A-ind... |
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 | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50059841
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant mu opioid receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of dermorphin-induced... |
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 | |
Urotensin-2 receptor
(Homo sapiens (Human)) | BDBM50413784
(UROTENSIN-II)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C64H85N13O18S2/c1-33(2)52(64(94)95)75-61(91)48-32-97-96-31-47(73-59(89)46(29-51(82)83)72-62(92)49-17-11-25-77(49)63(93)53(34(3)78)76-54(84)40(66)22-23-50(80)81)60(90)70-43(26-35-12-5-4-6-13-35)56(86)71-45(28-37-30-67-41-15-8-7-14-39(37)41)58(88)68-42(16-9-10-24-65)55(85)69-44(57(87)74-48)27-36-18-20-38(79)21-19-36/h4-8,12-15,18-21,30,33-34,40,42-49,52-53,67,78-79H,9-11,16-17,22-29,31-32,65-66H2,1-3H3,(H,68,88)(H,69,85)(H,70,90)(H,71,86)(H,72,92)(H,73,89)(H,74,87)(H,75,91)(H,76,84)(H,80,81)(H,82,83)(H,94,95)/t34-,40+,42+,43+,44+,45+,46+,47+,48+,49-,52+,53+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant urotensin 2 receptor expressed in CHO cells assessed as inhibition of urotensin 2-induced intracellular calc... |
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 | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50049949
((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...)Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0490 | n/a | n/a | n/a | n/a |
National Institute of Neuroscienc
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant bradykinin 2 receptor expressed in CHO cells assessed as inhibition of bradykinin-induced intracellular calc... |
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) | BDBM50418333
(CHEMBL1765705)Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| 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
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.07 | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50412707
(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 |r| 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
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.676 | n/a | n/a | n/a | n/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 (Human)) | BDBM50412707
(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 |r| 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
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.851 | n/a | n/a | n/a | n/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) | BDBM50477880
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/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
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/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
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.20 | n/a | n/a | n/a | n/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
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/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
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/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
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/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) | BDBM50477886
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/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
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/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) | BDBM50477888
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/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
([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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/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) | BDBM50477890
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/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) | BDBM50477891
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 132 | n/a | n/a | n/a | n/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
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/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
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/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
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/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
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/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
(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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.30 | n/a | n/a | n/a | n/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 | |
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