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SMILES: Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc5nc(C)ccc45)n3C)CCc2c1

InChI Key: InChIKey=RFIKMECJVGIKGU-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 2 hits for monomerid = 50222113   
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))
BDBM50222113
PNG
(7-(5-methyl-3-isoxazolyl)-3-(3-{[4-methyl-5-(2-met...)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc5nc(C)ccc45)n3C)CCc2c1
Show InChI InChI=1S/C30H32N6OS/c1-20-8-11-25-26(6-4-7-27(25)31-20)29-32-33-30(35(29)3)38-17-5-14-36-15-12-22-9-10-24(19-23(22)13-16-36)28-18-21(2)37-34-28/h4,6-11,18-19H,5,12-17H2,1-3H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in CHO cells


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50222113
PNG
(7-(5-methyl-3-isoxazolyl)-3-(3-{[4-methyl-5-(2-met...)
Show SMILES Cc1cc(no1)-c1ccc2CCN(CCCSc3nnc(-c4cccc5nc(C)ccc45)n3C)CCc2c1
Show InChI InChI=1S/C30H32N6OS/c1-20-8-11-25-26(6-4-7-27(25)31-20)29-32-33-30(35(29)3)38-17-5-14-36-15-12-22-9-10-24(19-23(22)13-16-36)28-18-21(2)37-34-28/h4,6-11,18-19H,5,12-17H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 120n/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to hERG expressed in CHO cells by patch clamp assay


J Med Chem 50: 5076-89 (2007)


Article DOI: 10.1021/jm0705612
BindingDB Entry DOI: 10.7270/Q2DF6QZB
More data for this
Ligand-Target Pair