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BDBM50220518 CHEMBL431974

SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)NC(=O)N(CCc1c[nH]c3ccccc13)C2=O

InChI Key: InChIKey=DGQVOEAFFYHRME-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50220518   
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
Substance-P receptor


(Homo sapiens (Human))
BDBM50220518
PNG
(CHEMBL431974)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)NC(=O)N(CCc1c[nH]c3ccccc13)C2=O
Show InChI InChI=1S/C26H22F6N4O3/c27-25(28,29)17-11-16(12-18(13-17)26(30,31)32)21(37)35-9-6-24(7-10-35)22(38)36(23(39)34-24)8-5-15-14-33-20-4-2-1-3-19(15)20/h1-4,11-14,33H,5-10H2,(H,34,39)
PDB
MMDB

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Similars

PubMed
575n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 2519-22 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5QB9
More data for this
Ligand-Target Pair