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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50436553   
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
Substance-P receptor


(Homo sapiens (Human))
BDBM50436553
PNG
(CHEMBL2396664)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([C@H]1C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c21-17(13-14-7-3-1-4-8-14)20(25)23-12-11-16(18(23)19(22)24)15-9-5-2-6-10-15/h1-10,16-18H,11-13,21H2,(H2,22,24)/t16-,17-,18-/m0/s1
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Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis


ACS Med Chem Lett 5: 1272-7 (2014)


Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436553
PNG
(CHEMBL2396664)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([C@H]1C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c21-17(13-14-7-3-1-4-8-14)20(25)23-12-11-16(18(23)19(22)24)15-9-5-2-6-10-15/h1-10,16-18H,11-13,21H2,(H2,22,24)/t16-,17-,18-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membranes after 60 mins by scintillation counting method


Bioorg Med Chem Lett 28: 2446-2450 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.009
BindingDB Entry DOI: 10.7270/Q2QF8WCB
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))
BDBM50436553
PNG
(CHEMBL2396664)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([C@H]1C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c21-17(13-14-7-3-1-4-8-14)20(25)23-12-11-16(18(23)19(22)24)15-9-5-2-6-10-15/h1-10,16-18H,11-13,21H2,(H2,22,24)/t16-,17-,18-/m0/s1
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Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50436553
PNG
(CHEMBL2396664)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([C@H]1C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c21-17(13-14-7-3-1-4-8-14)20(25)23-12-11-16(18(23)19(22)24)15-9-5-2-6-10-15/h1-10,16-18H,11-13,21H2,(H2,22,24)/t16-,17-,18-/m0/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to NK1 receptor (unknown origin)


ACS Med Chem Lett 5: 1272-7 (2014)


Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V
More data for this
Ligand-Target Pair