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BDBM50113838 CHEMBL3605120

SMILES: OCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1

InChI Key: InChIKey=HBISBEJOUCABCD-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 359 PDB IDs match this monomer.

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 2 hits for monomerid = 50113838   
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))
BDBM50113838
PNG
(CHEMBL3605120)
Show SMILES OCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C27H30FN5O5/c28-19-14-29-20-2-4-23(36-12-11-34)33-24(20)18(19)5-6-27-9-7-26(8-10-27,16-38-27)30-13-17-1-3-21-25(31-17)32-22(35)15-37-21/h1-4,14,30,34H,5-13,15-16H2,(H,31,32,35)
PDB
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Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by patch express method based electrophysiology assay


Bioorg Med Chem Lett 25: 3630-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50113838
PNG
(CHEMBL3605120)
Show SMILES OCCOc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C27H30FN5O5/c28-19-14-29-20-2-4-23(36-12-11-34)33-24(20)18(19)5-6-27-9-7-26(8-10-27,16-38-27)30-13-17-1-3-21-25(31-17)32-22(35)15-37-21/h1-4,14,30,34H,5-13,15-16H2,(H,31,32,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEBI
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG assessed as reduction in MK499 competitive binding


Bioorg Med Chem Lett 25: 3630-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.061
BindingDB Entry DOI: 10.7270/Q2M0477R
More data for this
Ligand-Target Pair