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SMILES: COCCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1

InChI Key: InChIKey=ADILYQIMCWQSFQ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 163009   
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))		BDBM163009
PNG
(US9056865, A-136)
Show SMILES COCCS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(n1)-c1ccccn1
Show InChI InChI=1S/C17H21ClN4O3S/c1-25-12-13-26(23,24)22-10-8-21(9-11-22)16-6-5-14(18)17(20-16)15-4-2-3-7-19-15/h2-7H,8-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 328n/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