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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50154573'   
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))
BDBM50154573
PNG
(1-Benzyloxymethyl-2,2-diphenyl-ethylamine | CHEMBL...)
Show SMILES NC(COCc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H23NO/c23-21(17-24-16-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22H,16-17,23H2
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Article
n/an/a 367n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Tachykinin receptor 1 expressed in CHO cells by the displacement of [125 I] substance P


Bioorg Med Chem Lett 4: 1903-1908 (1994)


Article DOI: 10.1016/S0960-894X(01)80531-X
BindingDB Entry DOI: 10.7270/Q2NK3DZ1
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50154573
PNG
(1-Benzyloxymethyl-2,2-diphenyl-ethylamine | CHEMBL...)
Show SMILES NC(COCc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H23NO/c23-21(17-24-16-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22H,16-17,23H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Inhibition of substance P binding to Tachykinin receptor 1 in Chinese hamster ovary cells


J Med Chem 47: 5381-92 (2004)


Article DOI: 10.1021/jm0311487
BindingDB Entry DOI: 10.7270/Q2MG7Q8Z
More data for this
Ligand-Target Pair