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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50362413   
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
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362413
PNG
(CHEMBL1940538)
Show SMILES COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C32H39N5O2S/c1-32(2,23-8-11-25(39-3)12-9-23)35-24-10-13-26(27(20-24)22-14-19-40-21-22)30(38)36-15-17-37(18-16-36)31-33-28-6-4-5-7-29(28)34-31/h4-9,11-12,14,19,21,24,26-27,35H,10,13,15-18,20H2,1-3H3,(H,33,34)/t24-,26+,27-/m1/s1
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Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)
BDBM50362413
PNG
(CHEMBL1940538)
Show SMILES COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C32H39N5O2S/c1-32(2,23-8-11-25(39-3)12-9-23)35-24-10-13-26(27(20-24)22-14-19-40-21-22)30(38)36-15-17-37(18-16-36)31-33-28-6-4-5-7-29(28)34-31/h4-9,11-12,14,19,21,24,26-27,35H,10,13,15-18,20H2,1-3H3,(H,33,34)/t24-,26+,27-/m1/s1
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Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))
BDBM50362413
PNG
(CHEMBL1940538)
Show SMILES COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C32H39N5O2S/c1-32(2,23-8-11-25(39-3)12-9-23)35-24-10-13-26(27(20-24)22-14-19-40-21-22)30(38)36-15-17-37(18-16-36)31-33-28-6-4-5-7-29(28)34-31/h4-9,11-12,14,19,21,24,26-27,35H,10,13,15-18,20H2,1-3H3,(H,33,34)/t24-,26+,27-/m1/s1
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PC sid
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Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from human NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))
BDBM50362413
PNG
(CHEMBL1940538)
Show SMILES COc1ccc(cc1)C(C)(C)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C32H39N5O2S/c1-32(2,23-8-11-25(39-3)12-9-23)35-24-10-13-26(27(20-24)22-14-19-40-21-22)30(38)36-15-17-37(18-16-36)31-33-28-6-4-5-7-29(28)34-31/h4-9,11-12,14,19,21,24,26-27,35H,10,13,15-18,20H2,1-3H3,(H,33,34)/t24-,26+,27-/m1/s1
Reactome pathway
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by...


Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair