Found 39 hits with Last Name = 'calo''' and Initial = 'g' 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 |
|---|
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50181392
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
((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 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 0.562 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.724 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL1783819)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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 191 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50479776
(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/a | n/a | n/a | n/a | 240 | 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 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
(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/a | n/a | n/a | n/a | 204 | 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 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
(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/a | n/a | n/a | n/a | 129 | 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 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
(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/a | n/a | n/a | n/a | 22 | 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 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
(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/a | n/a | n/a | n/a | 85 | 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 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
(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/a | n/a | n/a | n/a | 166 | 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 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
(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/a | n/a | n/a | n/a | 1.55E+3 | 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 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
(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/a | n/a | n/a | n/a | 32 | 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 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
(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/a | n/a | n/a | n/a | 372 | 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 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) | BDBM50479767
(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/a | n/a | n/a | n/a | 562 | 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 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) | BDBM50479766
(CHEMBL453962)Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C93H156N30O28S/c1-48(2)71(120-69(132)43-107-89(148)73(51(5)128)122-83(142)60(30-21-38-104-93(101)102)114-84(143)63(116-76(135)55(97)45-124)40-53-22-10-8-11-23-53)87(146)105-44-70(133)121-72(50(4)127)88(147)106-42-68(131)109-62(33-39-152-7)81(140)111-57(27-15-18-35-95)78(137)112-58(28-16-19-36-96)82(141)123-74(52(6)129)90(149)118-65(46-125)86(145)117-64(41-54-24-12-9-13-25-54)85(144)115-61(31-32-67(98)130)80(139)113-59(29-20-37-103-92(99)100)77(136)108-49(3)75(134)110-56(26-14-17-34-94)79(138)119-66(47-126)91(150)151/h8-13,22-25,48-52,55-66,71-74,124-129H,14-21,26-47,94-97H2,1-7H3,(H2,98,130)(H,105,146)(H,106,147)(H,107,148)(H,108,136)(H,109,131)(H,110,134)(H,111,140)(H,112,137)(H,113,139)(H,114,143)(H,115,144)(H,116,135)(H,117,145)(H,118,149)(H,119,138)(H,120,132)(H,121,133)(H,122,142)(H,123,141)(H,150,151)(H4,99,100,103)(H4,101,102,104)/t49-,50+,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-,72-,73-,74-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 102 | 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 increase in intracellular calcium mobilization by FLIPR |
Bioorg Med Chem 16: 8841-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW |
More data for this
Ligand-Target Pair | |
Neuropeptide S receptor
(Mus musculus) | BDBM50479765
(CHEMBL448242)Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN\C(N)=N\[N+]([O-])=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C93H154N32O30S/c1-48(2)72(121-70(134)43-105-77(138)64(41-68(99)132)118-80(141)59(29-20-37-104-93(102)124-125(154)155)114-85(146)62(116-76(137)54(97)45-126)39-52-21-9-7-10-22-52)88(149)106-44-71(135)122-73(50(4)129)89(150)107-42-69(133)109-61(32-38-156-6)83(144)111-56(26-14-17-34-95)79(140)112-57(27-15-18-35-96)84(145)123-74(51(5)130)90(151)119-65(46-127)87(148)117-63(40-53-23-11-8-12-24-53)86(147)115-60(30-31-67(98)131)82(143)113-58(28-19-36-103-92(100)101)78(139)108-49(3)75(136)110-55(25-13-16-33-94)81(142)120-66(47-128)91(152)153/h7-12,21-24,48-51,54-66,72-74,126-130H,13-20,25-47,94-97H2,1-6H3,(H2,98,131)(H2,99,132)(H,105,138)(H,106,149)(H,107,150)(H,108,139)(H,109,133)(H,110,136)(H,111,144)(H,112,140)(H,113,143)(H,114,146)(H,115,147)(H,116,137)(H,117,148)(H,118,141)(H,119,151)(H,120,142)(H,121,134)(H,122,135)(H,123,145)(H,152,153)(H4,100,101,103)(H3,102,104,124)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 22 | 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 increase in intracellular calcium mobilization by FLIPR |
Bioorg Med Chem 16: 8841-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW |
More data for this
Ligand-Target Pair | |
Neuropeptide S receptor
(Mus musculus) | BDBM50479764
(CHEMBL524654)Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C95H159N31O28S/c1-50(2)74(123-72(135)45-107-79(139)66(43-70(101)133)120-82(142)61(31-22-39-106-95(104)126(6)7)116-87(147)64(118-78(138)56(99)47-127)41-54-23-11-9-12-24-54)90(150)108-46-73(136)124-75(52(4)130)91(151)109-44-71(134)111-63(34-40-155-8)85(145)113-58(28-16-19-36-97)81(141)114-59(29-17-20-37-98)86(146)125-76(53(5)131)92(152)121-67(48-128)89(149)119-65(42-55-25-13-10-14-26-55)88(148)117-62(32-33-69(100)132)84(144)115-60(30-21-38-105-94(102)103)80(140)110-51(3)77(137)112-57(27-15-18-35-96)83(143)122-68(49-129)93(153)154/h9-14,23-26,50-53,56-68,74-76,127-131H,15-22,27-49,96-99H2,1-8H3,(H2,100,132)(H2,101,133)(H2,104,106)(H,107,139)(H,108,150)(H,109,151)(H,110,140)(H,111,134)(H,112,137)(H,113,145)(H,114,141)(H,115,144)(H,116,147)(H,117,148)(H,118,138)(H,119,149)(H,120,142)(H,121,152)(H,122,143)(H,123,135)(H,124,136)(H,125,146)(H,153,154)(H4,102,103,105)/t51-,52+,53+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-,75-,76-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 32 | 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 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) | BDBM50479763
(CHEMBL524693)Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C94H157N31O28S/c1-49(2)73(123-71(134)44-107-78(138)65(42-69(100)132)120-81(141)58(29-16-20-37-105-93(101)102)116-86(146)63(118-77(137)55(98)46-126)40-53-22-9-7-10-23-53)89(149)108-45-72(135)124-74(51(4)129)90(150)109-43-70(133)111-62(33-39-154-6)84(144)113-57(27-14-18-35-96)80(140)114-59(28-15-19-36-97)85(145)125-75(52(5)130)91(151)121-66(47-127)88(148)119-64(41-54-24-11-8-12-25-54)87(147)117-61(31-32-68(99)131)83(143)115-60(30-21-38-106-94(103)104)79(139)110-50(3)76(136)112-56(26-13-17-34-95)82(142)122-67(48-128)92(152)153/h7-12,22-25,49-52,55-67,73-75,126-130H,13-21,26-48,95-98H2,1-6H3,(H2,99,131)(H2,100,132)(H,107,138)(H,108,149)(H,109,150)(H,110,139)(H,111,133)(H,112,136)(H,113,144)(H,114,140)(H,115,143)(H,116,146)(H,117,147)(H,118,137)(H,119,148)(H,120,141)(H,121,151)(H,122,142)(H,123,134)(H,124,135)(H,125,145)(H,152,153)(H4,101,102,105)(H4,103,104,106)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR |
Bioorg Med Chem 16: 8841-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW |
More data for this
Ligand-Target Pair | |
Neuropeptide S receptor
(Mus musculus) | BDBM50479762
(CHEMBL505174)Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C91H150N28O28S/c1-8-54(106-84(140)61(112-75(131)53(95)44-120)38-51-22-11-9-12-23-51)77(133)114-63(40-67(97)126)76(132)101-42-69(128)117-71(47(2)3)87(143)102-43-70(129)118-72(49(5)123)88(144)103-41-68(127)105-60(32-37-148-7)82(138)108-56(27-16-19-34-93)79(135)109-57(28-17-20-35-94)83(139)119-73(50(6)124)89(145)115-64(45-121)86(142)113-62(39-52-24-13-10-14-25-52)85(141)111-59(30-31-66(96)125)81(137)110-58(29-21-36-100-91(98)99)78(134)104-48(4)74(130)107-55(26-15-18-33-92)80(136)116-65(46-122)90(146)147/h9-14,22-25,47-50,53-65,71-73,120-124H,8,15-21,26-46,92-95H2,1-7H3,(H2,96,125)(H2,97,126)(H,101,132)(H,102,143)(H,103,144)(H,104,134)(H,105,127)(H,106,140)(H,107,130)(H,108,138)(H,109,135)(H,110,137)(H,111,141)(H,112,131)(H,113,142)(H,114,133)(H,115,145)(H,116,136)(H,117,128)(H,118,129)(H,119,139)(H,146,147)(H4,98,99,100)/t48-,49+,50+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-,72-,73-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 513 | 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 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) | BDBM50479761
(CHEMBL525447)Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C92H152N28O28S/c1-8-22-55(108-85(141)62(113-76(132)54(96)45-121)39-52-23-11-9-12-24-52)79(135)115-64(41-68(98)127)77(133)102-43-70(129)118-72(48(2)3)88(144)103-44-71(130)119-73(50(5)124)89(145)104-42-69(128)106-61(33-38-149-7)83(139)109-57(28-16-19-35-94)80(136)110-58(29-17-20-36-95)84(140)120-74(51(6)125)90(146)116-65(46-122)87(143)114-63(40-53-25-13-10-14-26-53)86(142)112-60(31-32-67(97)126)82(138)111-59(30-21-37-101-92(99)100)78(134)105-49(4)75(131)107-56(27-15-18-34-93)81(137)117-66(47-123)91(147)148/h9-14,23-26,48-51,54-66,72-74,121-125H,8,15-22,27-47,93-96H2,1-7H3,(H2,97,126)(H2,98,127)(H,102,133)(H,103,144)(H,104,145)(H,105,134)(H,106,128)(H,107,131)(H,108,141)(H,109,139)(H,110,136)(H,111,138)(H,112,142)(H,113,132)(H,114,143)(H,115,135)(H,116,146)(H,117,137)(H,118,129)(H,119,130)(H,120,140)(H,147,148)(H4,99,100,101)/t49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-,74-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 135 | 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 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) | BDBM50479760
(CHEMBL526551)Show SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C93H155N29O28S/c1-49(2)73(120-71(131)44-104-78(135)65(42-69(100)129)117-81(138)58(28-15-19-36-96)113-86(143)63(115-77(134)55(98)46-123)40-53-22-9-7-10-23-53)89(146)105-45-72(132)121-74(51(4)126)90(147)106-43-70(130)108-62(33-39-151-6)84(141)110-57(27-14-18-35-95)80(137)111-59(29-16-20-37-97)85(142)122-75(52(5)127)91(148)118-66(47-124)88(145)116-64(41-54-24-11-8-12-25-54)87(144)114-61(31-32-68(99)128)83(140)112-60(30-21-38-103-93(101)102)79(136)107-50(3)76(133)109-56(26-13-17-34-94)82(139)119-67(48-125)92(149)150/h7-12,22-25,49-52,55-67,73-75,123-127H,13-21,26-48,94-98H2,1-6H3,(H2,99,128)(H2,100,129)(H,104,135)(H,105,146)(H,106,147)(H,107,136)(H,108,130)(H,109,133)(H,110,141)(H,111,137)(H,112,140)(H,113,143)(H,114,144)(H,115,134)(H,116,145)(H,117,138)(H,118,148)(H,119,139)(H,120,131)(H,121,132)(H,122,142)(H,149,150)(H4,101,102,103)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 18 | 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 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) | BDBM50479759
(CHEMBL503354)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](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C91H150N28O29S/c1-46(2)70(116-68(129)41-101-76(133)62(39-66(97)127)113-88(145)72(49(5)124)119-84(141)61(111-75(132)53(95)43-120)38-52-23-12-9-13-24-52)86(143)102-42-69(130)117-71(48(4)123)87(144)103-40-67(128)105-59(31-36-149-7)81(138)107-55(26-15-18-33-93)78(135)108-56(27-16-19-34-94)82(139)118-73(50(6)125)89(146)114-63(44-121)85(142)112-60(37-51-21-10-8-11-22-51)83(140)110-58(29-30-65(96)126)80(137)109-57(28-20-35-100-91(98)99)77(134)104-47(3)74(131)106-54(25-14-17-32-92)79(136)115-64(45-122)90(147)148/h8-13,21-24,46-50,53-64,70-73,120-125H,14-20,25-45,92-95H2,1-7H3,(H2,96,126)(H2,97,127)(H,101,133)(H,102,143)(H,103,144)(H,104,134)(H,105,128)(H,106,131)(H,107,138)(H,108,135)(H,109,137)(H,110,140)(H,111,132)(H,112,142)(H,113,145)(H,114,146)(H,115,136)(H,116,129)(H,117,130)(H,118,139)(H,119,141)(H,147,148)(H4,98,99,100)/t47-,48+,49+,50+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,70-,71-,72-,73-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 871 | 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 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
(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/a | n/a | n/a | n/a | 1.26E+3 | 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 increase in intracellular calcium mobilization by FLIPR |
Bioorg Med Chem 16: 8841-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW |
More data for this
Ligand-Target Pair | |
Neuropeptide S receptor
(Mus musculus) | BDBM50412707
(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 | 12 | 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 increase in intracellular calcium mobilization by FLIPR |
Bioorg Med Chem 16: 8841-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.073
BindingDB Entry DOI: 10.7270/Q2F47RXW |
More data for this
Ligand-Target Pair | |
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