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SMILES: O=C(Cn1nnc(n1)-c1ccccc1-n1cnnn1)NCc1ccccc1

InChI Key: InChIKey=CGAAKNLGPBPJMD-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 = 44177   
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
Solute carrier family 12 member 5


(Homo sapiens (Human))		BDBM44177
PNG
(MLS000073516 | N-(phenylmethyl)-2-[5-[2-(1,2,3,4-t...)
Show SMILES O=C(Cn1nnc(n1)-c1ccccc1-n1cnnn1)NCc1ccccc1
Show InChI InChI=1S/C17H15N9O/c27-16(18-10-13-6-2-1-3-7-13)11-26-21-17(20-23-26)14-8-4-5-9-15(14)25-12-19-22-24-25/h1-9,12H,10-11H2,(H,18,27)
PDB

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PC cid
PC sid
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n/an/an/an/a 2.40E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair