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SMILES: Clc1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2ncc3ncccc3c2=O)n1

InChI Key: InChIKey=SMIMKERZYSZTRX-MNZLEMJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 452892   
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
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM452892
PNG
(6-((3-((1R,5S,6r)-3- (3-chlorophenyl)-3- azabicycl...)
Show SMILES Clc1cccc(c1)N1C[C@H]2[C@@H](C1)[C@@H]2c1noc(Cn2ncc3ncccc3c2=O)n1 |r|
Show InChI InChI=1S/C21H17ClN6O2/c22-12-3-1-4-13(7-12)27-9-15-16(10-27)19(15)20-25-18(30-26-20)11-28-21(29)14-5-2-6-23-17(14)8-24-28/h1-8,15-16,19H,9-11H2/t15-,16+,19+
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.88n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...

US Patent US10711004 (2020)


BindingDB Entry DOI: 10.7270/Q21839K5
More data for this
Ligand-Target Pair