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SMILES: CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2ccccc2F)C1=O

InChI Key: InChIKey=YAMLMWXMDOFSKI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50220514   
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))		BDBM50220514
PNG
(CHEMBL82278)
Show SMILES CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2ccccc2F)C1=O
Show InChI InChI=1S/C24H20F7N3O3/c1-32-20(36)22(6-8-33(9-7-22)19(35)17-4-2-3-5-18(17)25)34(21(32)37)13-14-10-15(23(26,27)28)12-16(11-14)24(29,30)31/h2-5,10-12H,6-9,13H2,1H3
PDB
MMDB

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PC cid
PC sid
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PubMed
 1.48E+3n/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