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BDBM163006 US9056865, A-133

SMILES: Clc1ccc(nc1-c1ccccn1)N1CCC(CC1)NS(=O)(=O)C1CC1

InChI Key: InChIKey=UAQRYKDFSUJIDJ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 163006   
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
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM163006
PNG
(US9056865, A-133)
Show SMILES Clc1ccc(nc1-c1ccccn1)N1CCC(CC1)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C18H21ClN4O2S/c19-15-6-7-17(21-18(15)16-3-1-2-10-20-16)23-11-8-13(9-12-23)22-26(24,25)14-4-5-14/h1-3,6-7,10,13-14,22H,4-5,8-9,11-12H2
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Similars

US Patent
n/an/a 16.5n/an/an/an/an/a25



Pfizer Inc

US Patent


Assay Description
For the binding competition assay, 100 μL of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-F...


US Patent US9056865 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PH7
More data for this
Ligand-Target Pair