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BDBM94707 2-[4-[1-[1-(2-thenyl)tetrazol-5-yl]propyl]piperazino]-1,3-benzothiazole::2-[4-[1-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]piperazin-1-yl]-1,3-benzothiazole::2-[4-[1-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]propyl]-1-piperazinyl]-1,3-benzothiazole::2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-1,3-benzothiazole::2-{4-[1-(1-Thiophen-2-ylmethyl-1H-tetrazol-5-yl)-propyl]-piperazin-1-yl}-benzothiazole::MLS000029927::SMR000005034::cid_653717

SMILES: CCC(N1CCN(CC1)c1nc2ccccc2s1)c1nnnn1Cc1cccs1

InChI Key: InChIKey=IKJTZKNHFLIDBB-UHFFFAOYSA-N

Data: 1 EC50

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 = 94707   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LARGE


(Homo sapiens (Human))
BDBM94707
PNG
(2-[4-[1-[1-(2-thenyl)tetrazol-5-yl]propyl]piperazi...)
Show SMILES CCC(N1CCN(CC1)c1nc2ccccc2s1)c1nnnn1Cc1cccs1
Show InChI InChI=1S/C20H23N7S2/c1-2-17(19-22-23-24-27(19)14-15-6-5-13-28-15)25-9-11-26(12-10-25)20-21-16-7-3-4-8-18(16)29-20/h3-8,13,17H,2,9-12,14H2,1H3
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PC cid
PC sid
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Similars

PCBioAssay
n/an/an/an/a 2.26E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair