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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'camarda' and Initial = 'v'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM50181392
PNG
((R)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine]-...)
Show SMILES O=C(NCCCN1CCC2(CC1)OCc1ccccc21)[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C27H35N3O2/c31-26(25-12-6-17-30(25)20-22-8-2-1-3-9-22)28-15-7-16-29-18-13-27(14-19-29)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2,(H,28,31)/t25-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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0.562n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from human recombinant mu-type opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418594
PNG
(CHEMBL1783826)
Show SMILES Clc1cccc(Cl)c1C1CCN(CCCNC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1
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0.724n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from human recombinant kappa-type opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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21n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from human recombinant delta-type opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418589
PNG
(CHEMBL1783821)
Show SMILES C(CNC[C@H]1CCCN1Cc1ccccc1)CN1CCC2(CC1)OCc1ccccc21 |r|
Show InChI InChI=1S/C27H37N3O/c1-2-8-23(9-3-1)21-30-17-6-11-25(30)20-28-15-7-16-29-18-13-27(14-19-29)26-12-5-4-10-24(26)22-31-27/h1-5,8-10,12,25,28H,6-7,11,13-22H2/t25-/m1/s1
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49n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418598
PNG
(CHEMBL1783818)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc21 |r|
Show InChI InChI=1S/C24H31N3O2/c25-22(17-19-7-2-1-3-8-19)23(28)26-13-6-14-27-15-11-24(12-16-27)21-10-5-4-9-20(21)18-29-24/h1-5,7-10,22H,6,11-18,25H2,(H,26,28)/t22-/m0/s1
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59n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418587
PNG
(CHEMBL1783817)
Show SMILES N[C@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc21 |r|
Show InChI InChI=1S/C24H31N3O2/c25-22(17-19-7-2-1-3-8-19)23(28)26-13-6-14-27-15-11-24(12-16-27)21-10-5-4-9-20(21)18-29-24/h1-5,7-10,22H,6,11-18,25H2,(H,26,28)/t22-/m1/s1
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59n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418588
PNG
(CHEMBL1783819)
Show SMILES O=C(CNCc1ccccc1)NCCCN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C24H31N3O2/c28-23(18-25-17-20-7-2-1-3-8-20)26-13-6-14-27-15-11-24(12-16-27)22-10-5-4-9-21(22)19-29-24/h1-5,7-10,25H,6,11-19H2,(H,26,28)
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60n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418595
PNG
(CHEMBL1783827)
Show SMILES Clc1cccc(Cl)c1C1CCN(CCCNC(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m0/s1
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83n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418590
PNG
(CHEMBL1783822)
Show SMILES O=C(OCCCN1CCC2(CC1)OCc1ccccc21)[C@H]1CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C27H34N2O3/c30-26(25-12-6-16-29(25)20-22-8-2-1-3-9-22)31-19-7-15-28-17-13-27(14-18-28)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2/t25-/m1/s1
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107n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418591
PNG
(CHEMBL1783823)
Show SMILES C(COC[C@H]1CCCN1Cc1ccccc1)CN1CCC2(CC1)OCc1ccccc21 |r|
Show InChI InChI=1S/C27H36N2O2/c1-2-8-23(9-3-1)20-29-16-6-11-25(29)22-30-19-7-15-28-17-13-27(14-18-28)26-12-5-4-10-24(26)21-31-27/h1-5,8-10,12,25H,6-7,11,13-22H2/t25-/m1/s1
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158n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50418594
PNG
(CHEMBL1783826)
Show SMILES Clc1cccc(Cl)c1C1CCN(CCCNC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1
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191n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from human recombinant mu-type opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50418594
PNG
(CHEMBL1783826)
Show SMILES Clc1cccc(Cl)c1C1CCN(CCCNC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1
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316n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from human recombinant kappa-type opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50418594
PNG
(CHEMBL1783826)
Show SMILES Clc1cccc(Cl)c1C1CCN(CCCNC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from human recombinant delta-type opioid receptor expressed in CHO cell membranes


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418597
PNG
(CHEMBL1783820)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)[C@H]1CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C28H37N3O2/c1-29(27(32)26-13-7-18-31(26)21-23-9-3-2-4-10-23)16-8-17-30-19-14-28(15-20-30)25-12-6-5-11-24(25)22-33-28/h2-6,9-12,26H,7-8,13-22H2,1H3/t26-/m1/s1
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1.15E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418593
PNG
(CHEMBL1783825)
Show SMILES O=C(NCCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)[C@H]1CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C28H37N5O2/c34-26(25-13-7-18-32(25)21-23-9-3-1-4-10-23)29-16-8-17-31-19-14-28(15-20-31)27(35)30-22-33(28)24-11-5-2-6-12-24/h1-6,9-12,25H,7-8,13-22H2,(H,29,34)(H,30,35)/t25-/m1/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418592
PNG
(CHEMBL1783824)
Show SMILES C(CC=C[C@H]1CCCN1Cc1ccccc1)CN1CCC2(CC1)NCc1ccccc21 |r|
Show InChI InChI=1S/C28H37N3/c1-3-10-24(11-4-1)23-31-19-9-14-26(31)13-5-2-8-18-30-20-16-28(17-21-30)27-15-7-6-12-25(27)22-29-28/h1,3-7,10-13,15,26,29H,2,8-9,14,16-23H2/t26-/m0/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50418596
PNG
(CHEMBL1783828)
Show SMILES CCn1c2ccccc2n(C2CCN(CCCNC(=O)[C@H]3CCCN3Cc3ccccc3)CC2)c1=O |r|
Show InChI InChI=1S/C29H39N5O2/c1-2-33-25-12-6-7-13-26(25)34(29(33)36)24-15-20-31(21-16-24)18-9-17-30-28(35)27-14-8-19-32(27)22-23-10-4-3-5-11-23/h3-7,10-13,24,27H,2,8-9,14-22H2,1H3,(H,30,35)/t27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells


Bioorg Med Chem 17: 5080-95 (2009)


Article DOI: 10.1016/j.bmc.2009.05.068
BindingDB Entry DOI: 10.7270/Q2P270C3
More data for this
Ligand-Target Pair
Neuropeptide S receptor


(Mus musculus)
BDBM50423102
PNG
(CHEMBL267479)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C95H159N31O28S/c1-49(2)72(125-92(154)95(6,7)126-87(148)65(43-69(101)133)120-79(140)60(31-22-39-107-94(104)105)116-84(145)63(118-76(137)55(99)46-127)41-53-23-11-9-12-24-53)88(149)108-45-71(135)123-73(51(4)130)89(150)109-44-70(134)111-62(34-40-155-8)82(143)113-57(28-16-19-36-97)78(139)114-58(29-17-20-37-98)83(144)124-74(52(5)131)90(151)121-66(47-128)86(147)119-64(42-54-25-13-10-14-26-54)85(146)117-61(32-33-68(100)132)81(142)115-59(30-21-38-106-93(102)103)77(138)110-50(3)75(136)112-56(27-15-18-35-96)80(141)122-67(48-129)91(152)153/h9-14,23-26,49-52,55-67,72-74,127-131H,15-22,27-48,96-99H2,1-8H3,(H2,100,132)(H2,101,133)(H,108,149)(H,109,150)(H,110,138)(H,111,134)(H,112,136)(H,113,143)(H,114,139)(H,115,142)(H,116,145)(H,117,146)(H,118,137)(H,119,147)(H,120,140)(H,121,151)(H,122,141)(H,123,135)(H,124,144)(H,125,154)(H,126,148)(H,152,153)(H4,102,103,106)(H4,104,105,107)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 537n/an/an/an/an/an/a



Istituto di Chimica Biomolecolare

Curated by ChEMBL


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


J Med Chem 50: 4501-8 (2007)


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


(Mus musculus)
BDBM50423102
PNG
(CHEMBL267479)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C95H159N31O28S/c1-49(2)72(125-92(154)95(6,7)126-87(148)65(43-69(101)133)120-79(140)60(31-22-39-107-94(104)105)116-84(145)63(118-76(137)55(99)46-127)41-53-23-11-9-12-24-53)88(149)108-45-71(135)123-73(51(4)130)89(150)109-44-70(134)111-62(34-40-155-8)82(143)113-57(28-16-19-36-97)78(139)114-58(29-17-20-37-98)83(144)124-74(52(5)131)90(151)121-66(47-128)86(147)119-64(42-54-25-13-10-14-26-54)85(146)117-61(32-33-68(100)132)81(142)115-59(30-21-38-106-93(102)103)77(138)110-50(3)75(136)112-56(27-15-18-35-96)80(141)122-67(48-129)91(152)153/h9-14,23-26,49-52,55-67,72-74,127-131H,15-22,27-48,96-99H2,1-8H3,(H2,100,132)(H2,101,133)(H,108,149)(H,109,150)(H,110,138)(H,111,134)(H,112,136)(H,113,143)(H,114,139)(H,115,142)(H,116,145)(H,117,146)(H,118,137)(H,119,147)(H,120,140)(H,121,151)(H,122,141)(H,123,135)(H,124,144)(H,125,154)(H,126,148)(H,152,153)(H4,102,103,106)(H4,104,105,107)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a



Istituto di Chimica Biomolecolare

Curated by ChEMBL


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


J Med Chem 50: 4501-8 (2007)


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


(Mus musculus)
BDBM50479767
PNG
(CHEMBL451444)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(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/C94H157N31O28S/c1-49(2)73(123-71(134)44-107-78(138)61(30-32-68(99)131)117-81(141)60(29-20-39-106-94(103)104)116-86(146)64(119-77(137)55(98)46-126)41-53-21-9-7-10-22-53)89(149)108-45-72(135)124-74(51(4)129)90(150)109-43-70(133)111-63(34-40-154-6)84(144)113-57(26-14-17-36-96)80(140)114-58(27-15-18-37-97)85(145)125-75(52(5)130)91(151)121-66(47-127)88(148)120-65(42-54-23-11-8-12-24-54)87(147)118-62(31-33-69(100)132)83(143)115-59(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,113,144)(H,114,140)(H,115,143)(H,116,146)(H,117,141)(H,118,147)(H,119,137)(H,120,148)(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/an/an/an/a 562n/an/an/an/a



University of Ferrara

Curated by ChEMBL


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


Bioorg Med Chem 16: 8841-5 (2008)


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


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

UniProtKB/SwissProt

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



University of Ferrara

Curated by ChEMBL


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


Bioorg Med Chem 16: 8841-5 (2008)


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


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

UniProtKB/SwissProt

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



University of Ferrara

Curated by ChEMBL


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


Bioorg Med Chem 16: 8841-5 (2008)


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


(Mus musculus)
BDBM50479770
PNG
(CHEMBL500802)
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](Cc1cnc[nH]1)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/C93H150N30O28S/c1-48(2)73(121-71(132)42-104-78(136)65(39-69(99)130)118-87(145)64(38-54-40-102-47-107-54)117-86(144)62(115-77(135)55(97)44-124)36-52-20-9-7-10-21-52)89(147)105-43-72(133)122-74(50(4)127)90(148)106-41-70(131)109-61(30-35-152-6)83(141)111-57(25-14-17-32-95)80(138)112-58(26-15-18-33-96)84(142)123-75(51(5)128)91(149)119-66(45-125)88(146)116-63(37-53-22-11-8-12-23-53)85(143)114-60(28-29-68(98)129)82(140)113-59(27-19-34-103-93(100)101)79(137)108-49(3)76(134)110-56(24-13-16-31-94)81(139)120-67(46-126)92(150)151/h7-12,20-23,40,47-51,55-67,73-75,124-128H,13-19,24-39,41-46,94-97H2,1-6H3,(H2,98,129)(H2,99,130)(H,102,107)(H,104,136)(H,105,147)(H,106,148)(H,108,137)(H,109,131)(H,110,134)(H,111,141)(H,112,138)(H,113,140)(H,114,143)(H,115,135)(H,116,146)(H,117,144)(H,118,145)(H,119,149)(H,120,139)(H,121,132)(H,122,133)(H,123,142)(H,150,151)(H4,100,101,103)/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/an/an/an/a 1.55E+3n/an/an/an/a



University of Ferrara

Curated by ChEMBL


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


Bioorg Med Chem 16: 8841-5 (2008)


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


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

UniProtKB/SwissProt

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



University of Ferrara

Curated by ChEMBL


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


Bioorg Med Chem 16: 8841-5 (2008)


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


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

UniProtKB/SwissProt

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



University of Ferrara

Curated by ChEMBL


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


Bioorg Med Chem 16: 8841-5 (2008)


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


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

UniProtKB/SwissProt

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



University of Ferrara

Curated by ChEMBL


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


Bioorg Med Chem 16: 8841-5 (2008)


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


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

UniProtKB/SwissProt

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



University of Ferrara

Curated by ChEMBL


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


Bioorg Med Chem 16: 8841-5 (2008)


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


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

UniProtKB/SwissProt

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



University of Ferrara

Curated by ChEMBL


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


Bioorg Med Chem 16: 8841-5 (2008)


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


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

UniProtKB/SwissProt

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



University of Ferrara

Curated by ChEMBL


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


Bioorg Med Chem 16: 8841-5 (2008)


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


(Mus musculus)
BDBM50479777
PNG
(CHEMBL499957)
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)CNC(=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/C89H146N28O28S/c1-46(2)70(115-68(127)41-100-76(132)61(38-65(95)124)105-67(126)39-99-75(131)59(111-74(130)52(93)43-118)36-50-20-9-7-10-21-50)85(141)101-42-69(128)116-71(48(4)121)86(142)102-40-66(125)104-58(30-35-146-6)81(137)107-54(25-14-17-32-91)78(134)108-55(26-15-18-33-92)82(138)117-72(49(5)122)87(143)113-62(44-119)84(140)112-60(37-51-22-11-8-12-23-51)83(139)110-57(28-29-64(94)123)80(136)109-56(27-19-34-98-89(96)97)77(133)103-47(3)73(129)106-53(24-13-16-31-90)79(135)114-63(45-120)88(144)145/h7-12,20-23,46-49,52-63,70-72,118-122H,13-19,24-45,90-93H2,1-6H3,(H2,94,123)(H2,95,124)(H,99,131)(H,100,132)(H,101,141)(H,102,142)(H,103,133)(H,104,125)(H,105,126)(H,106,129)(H,107,137)(H,108,134)(H,109,136)(H,110,139)(H,111,130)(H,112,140)(H,113,143)(H,114,135)(H,115,127)(H,116,128)(H,117,138)(H,144,145)(H4,96,97,98)/t47-,48+,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,70-,71-,72-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.26E+3n/an/an/an/a



University of Ferrara

Curated by ChEMBL


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


Bioorg Med Chem 16: 8841-5 (2008)


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


(Homo sapiens (Human))
BDBM50413782
PNG
(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/an/an/an/a 1.90n/an/an/an/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
PNG
(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

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Article
PubMed
n/an/an/an/a 0.389n/an/an/an/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
PNG
(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

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UniProtKB/SwissProt

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Article
PubMed
n/an/an/an/a 3n/an/an/an/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
PNG
(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
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n/an/an/an/a 70.8n/an/an/an/a



University of Ferrara

Curated by ChEMBL


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


J Med Chem 52: 524-9 (2009)


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


(Mus musculus)
BDBM50412701
PNG
(CHEMBL525809)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |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
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Article
PubMed
n/an/an/an/a 2.24n/an/an/an/a



University of Ferrara

Curated by ChEMBL


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


J Med Chem 52: 524-9 (2009)


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


(Mus musculus)
BDBM50412702
PNG
(CHEMBL526323)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |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
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PubMed
n/an/an/an/a 229n/an/an/an/a



University of Ferrara

Curated by ChEMBL


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


J Med Chem 52: 524-9 (2009)


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


(Mus musculus)
BDBM50412703
PNG
(CHEMBL505657)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |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
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Article
PubMed
n/an/an/an/a 66.1n/an/an/an/a



University of Ferrara

Curated by ChEMBL


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


J Med Chem 52: 524-9 (2009)


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


(Mus musculus)
BDBM50412704
PNG
(CHEMBL507881)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |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
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Article
PubMed
n/an/an/an/a 87.1n/an/an/an/a



University of Ferrara

Curated by ChEMBL


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


J Med Chem 52: 524-9 (2009)


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


(Mus musculus)
BDBM50412705
PNG
(CHEMBL526355)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |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
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n/an/an/an/a 13.8n/an/an/an/a



University of Ferrara

Curated by ChEMBL


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


J Med Chem 52: 524-9 (2009)


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


(Mus musculus)
BDBM50412706
PNG
(CHEMBL525398)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |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
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n/an/an/an/a 776n/an/an/an/a



University of Ferrara

Curated by ChEMBL


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


J Med Chem 52: 524-9 (2009)


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


(Mus musculus)
BDBM50412707
PNG
(CHEMBL230333)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |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
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n/an/an/an/a 2.24n/an/an/an/a



University of Ferrara

Curated by ChEMBL


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


J Med Chem 52: 524-9 (2009)


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


(Mus musculus)
BDBM50412707
PNG
(CHEMBL230333)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |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
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n/an/an/an/a 4.80n/an/an/an/a



National Institute of Neuroscienc

Curated by ChEMBL


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


J Med Chem 52: 4068-71 (2009)


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


(Mus musculus)
BDBM50413778
PNG
(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
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n/an/an/an/a 1.66E+3n/an/an/an/a



National Institute of Neuroscienc

Curated by ChEMBL


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


J Med Chem 52: 4068-71 (2009)


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


(Mus musculus)
BDBM50413779
PNG
(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
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n/an/an/an/a 661n/an/an/an/a



National Institute of Neuroscienc

Curated by ChEMBL


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


J Med Chem 52: 4068-71 (2009)


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


(Mus musculus)
BDBM50413780
PNG
(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/an/an/an/a 2.69E+3n/an/an/an/a



National Institute of Neuroscienc

Curated by ChEMBL


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


J Med Chem 52: 4068-71 (2009)


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


(Mus musculus)
BDBM50413781
PNG
(CHEMBL509091)
Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)[C@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O |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/an/an/an/a 794n/an/an/an/a



National Institute of Neuroscienc

Curated by ChEMBL


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


J Med Chem 52: 4068-71 (2009)


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


(Homo sapiens (Human))
BDBM50413782
PNG
(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/an/an/an/a 0.0490n/an/an/an/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
PNG
(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/an/an/an/a 0.0339n/an/an/an/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
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