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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 = 'BDBM50140776'   
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))
BDBM50140776
PNG
(2-Methyl-4-phenyl-quinoline-3-carboxylic acid (3,5...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(C)nc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C27H20F6N2O/c1-16-23(24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)34-16)25(36)35(2)15-17-12-19(26(28,29)30)14-20(13-17)27(31,32)33/h3-14H,15H2,1-2H3
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Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand


J Med Chem 47: 1315-8 (2004)


Article DOI: 10.1021/jm034219a
BindingDB Entry DOI: 10.7270/Q2F76C0W
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50140776
PNG
(2-Methyl-4-phenyl-quinoline-3-carboxylic acid (3,5...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(C)nc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C27H20F6N2O/c1-16-23(24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)34-16)25(36)35(2)15-17-12-19(26(28,29)30)14-20(13-17)27(31,32)33/h3-14H,15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from human recombinant NK1 receptor expressed in CHO cells after 90 mins


Bioorg Med Chem 19: 2242-51 (2011)


Article DOI: 10.1016/j.bmc.2011.02.031
BindingDB Entry DOI: 10.7270/Q2QJ7J8H
More data for this
Ligand-Target Pair