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BDBM50391768 CHEMBL2146871::US9073882, 95

SMILES: O=C1OCc2cc(CCN3CCN(CCc4ccc(cc4)C#N)CC3)ccc12

InChI Key: InChIKey=ITKLWGVJMIJZNQ-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50391768   
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
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50391768
PNG
(CHEMBL2146871 | US9073882, 95)
Show SMILES O=C1OCc2cc(CCN3CCN(CCc4ccc(cc4)C#N)CC3)ccc12
Show InChI InChI=1S/C23H25N3O2/c24-16-20-3-1-18(2-4-20)7-9-25-11-13-26(14-12-25)10-8-19-5-6-22-21(15-19)17-28-23(22)27/h1-6,15H,7-14,17H2
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US Patent
n/an/a 300n/an/an/an/an/a4



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FluxOR Kit Components (Invitrogen F10017) FluxOR Reagent (Component A) FluxOR Assay Buffer (Component B)-10x Concentrate PowerLo...


US Patent US9073882 (2015)


BindingDB Entry DOI: 10.7270/Q21C1VMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50391768
PNG
(CHEMBL2146871 | US9073882, 95)
Show SMILES O=C1OCc2cc(CCN3CCN(CCc4ccc(cc4)C#N)CC3)ccc12
Show InChI InChI=1S/C23H25N3O2/c24-16-20-3-1-18(2-4-20)7-9-25-11-13-26(14-12-25)10-8-19-5-6-22-21(15-19)17-28-23(22)27/h1-6,15H,7-14,17H2
PDB
MMDB

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PubMed
n/an/a 430n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


ACS Med Chem Lett 6: 747-52 (2015)


BindingDB Entry DOI: 10.7270/Q27H1MCQ
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50391768
PNG
(CHEMBL2146871 | US9073882, 95)
Show SMILES O=C1OCc2cc(CCN3CCN(CCc4ccc(cc4)C#N)CC3)ccc12
Show InChI InChI=1S/C23H25N3O2/c24-16-20-3-1-18(2-4-20)7-9-25-11-13-26(14-12-25)10-8-19-5-6-22-21(15-19)17-28-23(22)27/h1-6,15H,7-14,17H2
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ROMK1 channel expressed in CHO cells coexpressing DHFR assessed as inhibition of 86Rb+ efflux after 35 mins by TopCount method


ACS Med Chem Lett 3: 367-372 (2012)


Article DOI: 10.1021/ml3000066
BindingDB Entry DOI: 10.7270/Q2MK6DZV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50391768
PNG
(CHEMBL2146871 | US9073882, 95)
Show SMILES O=C1OCc2cc(CCN3CCN(CCc4ccc(cc4)C#N)CC3)ccc12
Show InChI InChI=1S/C23H25N3O2/c24-16-20-3-1-18(2-4-20)7-9-25-11-13-26(14-12-25)10-8-19-5-6-22-21(15-19)17-28-23(22)27/h1-6,15H,7-14,17H2
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 430n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG


ACS Med Chem Lett 3: 367-372 (2012)


Article DOI: 10.1021/ml3000066
BindingDB Entry DOI: 10.7270/Q2MK6DZV
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50391768
PNG
(CHEMBL2146871 | US9073882, 95)
Show SMILES O=C1OCc2cc(CCN3CCN(CCc4ccc(cc4)C#N)CC3)ccc12
Show InChI InChI=1S/C23H25N3O2/c24-16-20-3-1-18(2-4-20)7-9-25-11-13-26(14-12-25)10-8-19-5-6-22-21(15-19)17-28-23(22)27/h1-6,15H,7-14,17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay


ACS Med Chem Lett 6: 747-52 (2015)


BindingDB Entry DOI: 10.7270/Q27H1MCQ
More data for this
Ligand-Target Pair