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BDBM50193837 (R)-4-(5-chloro-1H-indole-2-sulfonyl)-1-[4-(N,N-dimethyl-carbamimidoyl)-benzyl]-6-oxo-piperazine-2-carboxylic acid ethyl ester::CHEMBL386839

SMILES: CCOC(=O)[C@H]1CN(CC(=O)N1Cc1ccc(cc1)C(=N)N(C)C)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1

InChI Key: InChIKey=HKENEGKJJJBUHP-OAQYLSRUSA-N

Data: 1 KI

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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 = 50193837   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50193837
PNG
((R)-4-(5-chloro-1H-indole-2-sulfonyl)-1-[4-(N,N-di...)
Show SMILES CCOC(=O)[C@H]1CN(CC(=O)N1Cc1ccc(cc1)C(=N)N(C)C)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C25H28ClN5O5S/c1-4-36-25(33)21-14-30(37(34,35)22-12-18-11-19(26)9-10-20(18)28-22)15-23(32)31(21)13-16-5-7-17(8-6-16)24(27)29(2)3/h5-12,21,27-28H,4,13-15H2,1-3H3/t21-/m1/s1
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Similars

Article
PubMed
71n/an/an/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG potassium channel expressed in HEK293 cells


Bioorg Med Chem Lett 16: 5507-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.039
BindingDB Entry DOI: 10.7270/Q2SF2X05
More data for this
Ligand-Target Pair