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BDBM50280467 CHEMBL346626::[3-(2-Chloro-phenyl)-propyl]-[(2R,3R)-2-(2,2-diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-amine

SMILES: Clc1ccccc1CCCN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=RGXKBMFDOAFNBV-FQLXRVMXSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50280467   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50280467
PNG
(CHEMBL346626 | [3-(2-Chloro-phenyl)-propyl]-[(2R,3...)
Show SMILES Clc1ccccc1CCCN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33ClN2/c30-26-16-8-7-10-22(26)15-9-19-31-28-25-17-20-32(21-18-25)29(28)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-8,10-14,16,25,27-29,31H,9,15,17-21H2/t28-,29-/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity towards NK1 receptor in rat cerebral cortex membranes was determined by using 125 [I]-BHSP as radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50280467
PNG
(CHEMBL346626 | [3-(2-Chloro-phenyl)-propyl]-[(2R,3...)
Show SMILES Clc1ccccc1CCCN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33ClN2/c30-26-16-8-7-10-22(26)15-9-19-31-28-25-17-20-32(21-18-25)29(28)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-8,10-14,16,25,27-29,31H,9,15,17-21H2/t28-,29-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand


Bioorg Med Chem Lett 2: 559-564 (1992)


Article DOI: 10.1016/S0960-894X(01)81197-5
BindingDB Entry DOI: 10.7270/Q2N01717
More data for this
Ligand-Target Pair