BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50052277'   
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))
BDBM50052277
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-fu...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ccco3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H23F6NO2/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)16-34-22-9-4-10-32(15-21-8-5-11-33-21)23(22)18-6-2-1-3-7-18/h1-3,5-8,11-14,22-23H,4,9-10,15-16H2/t22-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125 I]-Tyr8 SP from the cloned human Tachykinin receptor 1 expressed in CHO cells


J Med Chem 39: 2907-14 (1996)


Article DOI: 10.1021/jm9506534
BindingDB Entry DOI: 10.7270/Q2D21WP4
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50052277
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-fu...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ccco3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H23F6NO2/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)16-34-22-9-4-10-32(15-21-8-5-11-33-21)23(22)18-6-2-1-3-7-18/h1-3,5-8,11-14,22-23H,4,9-10,15-16H2/t22-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39.8n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.


J Med Chem 41: 3609-23 (1998)


Article DOI: 10.1021/jm9700171
BindingDB Entry DOI: 10.7270/Q2V1260Z
More data for this
Ligand-Target Pair