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BDBM50533146 CHEMBL4573466

SMILES: Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC(F)c2ccc3C(=O)OCc3c2C)CC1

InChI Key: InChIKey=VYYGLESFPYPITB-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50533146   
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))
BDBM50533146
PNG
(CHEMBL4573466)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC(F)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1S/C26H28F2N2O4/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(27)11-29-7-9-30(10-8-29)12-24(28)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24H,7-14H2,1-2H3
Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 96n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) after 30 mins by 86Rb+ efflux assay


ACS Med Chem Lett 7: 697-701 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00122
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50533146
PNG
(CHEMBL4573466)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC(F)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1S/C26H28F2N2O4/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(27)11-29-7-9-30(10-8-29)12-24(28)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24H,7-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 96n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) after 30 mins by 86Rb+ efflux assay


ACS Med Chem Lett 7: 697-701 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00122
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50533146
PNG
(CHEMBL4573466)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC(F)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1S/C26H28F2N2O4/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(27)11-29-7-9-30(10-8-29)12-24(28)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24H,7-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 117n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay


ACS Med Chem Lett 7: 697-701 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00122
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50533146
PNG
(CHEMBL4573466)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC(F)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1S/C26H28F2N2O4/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(27)11-29-7-9-30(10-8-29)12-24(28)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24H,7-14H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>9.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG after 6 mins by electrophysiological assay


ACS Med Chem Lett 7: 697-701 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00122
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50533146
PNG
(CHEMBL4573466)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC(F)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1S/C26H28F2N2O4/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(27)11-29-7-9-30(10-8-29)12-24(28)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24H,7-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 117n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay


ACS Med Chem Lett 7: 697-701 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00122
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50533146
PNG
(CHEMBL4573466)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC(F)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1S/C26H28F2N2O4/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(27)11-29-7-9-30(10-8-29)12-24(28)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24H,7-14H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 7: 697-701 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00122
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50533146
PNG
(CHEMBL4573466)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC(F)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1S/C26H28F2N2O4/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(27)11-29-7-9-30(10-8-29)12-24(28)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24H,7-14H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>9.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG after 6 mins by electrophysiological assay


ACS Med Chem Lett 7: 697-701 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00122
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50533146
PNG
(CHEMBL4573466)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC(F)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1S/C26H28F2N2O4/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(27)11-29-7-9-30(10-8-29)12-24(28)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24H,7-14H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK-499 from human ERG


ACS Med Chem Lett 7: 697-701 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00122
More data for this
Ligand-Target Pair