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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neurokinin 1 receptor' and Ligand = 'BDBM50009232'   
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
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50009232
PNG
(1-Carbamoylmethyl-3-ethyl-2-[3-(1,3,3-trimethyl-1,...)
Show SMILES CCn1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)[n+](CC(N)=O)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H28N6O/c1-5-32-24(16-10-15-22-27(2,3)18-11-6-9-14-21(18)31(22)4)33(17-23(28)34)26-25(32)29-19-12-7-8-13-20(19)30-26/h6-16H,5,17H2,1-4H3,(H-,28,34)/p+1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair