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SMILES: Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)NS(=O)(=O)C1CC1

InChI Key: InChIKey=ZHDUKDXAHHRNJY-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 163000   
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
Smoothened homolog


(Homo sapiens (Human))		BDBM163000
PNG
(US9056865, A-127)
Show SMILES Cc1cnc(c(C)c1)-c1cc(ncc1Cl)N1CCC(CC1)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C20H25ClN4O2S/c1-13-9-14(2)20(23-11-13)17-10-19(22-12-18(17)21)25-7-5-15(6-8-25)24-28(26,27)16-3-4-16/h9-12,15-16,24H,3-8H2,1-2H3
PDB

KEGG

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Similars
US Patent
n/an/a 11.5n/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