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BDBM50533149 CHEMBL4438583

SMILES: Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1

InChI Key: InChIKey=CAOIZQQGDHVYBO-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50533149   
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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50533149
PNG
(CHEMBL4438583)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H26N6O4/c1-16-19(6-7-20-21(16)14-34-24(20)33)22(31)13-28-8-10-29(11-9-28)23(32)12-17-2-4-18(5-3-17)30-15-25-26-27-30/h2-7,15,22,31H,8-14H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/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
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50533149
PNG
(CHEMBL4438583)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H26N6O4/c1-16-19(6-7-20-21(16)14-34-24(20)33)22(31)13-28-8-10-29(11-9-28)23(32)12-17-2-4-18(5-3-17)30-15-25-26-27-30/h2-7,15,22,31H,8-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 510n/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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50533149
PNG
(CHEMBL4438583)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H26N6O4/c1-16-19(6-7-20-21(16)14-34-24(20)33)22(31)13-28-8-10-29(11-9-28)23(32)12-17-2-4-18(5-3-17)30-15-25-26-27-30/h2-7,15,22,31H,8-14H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/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
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50533149
PNG
(CHEMBL4438583)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H26N6O4/c1-16-19(6-7-20-21(16)14-34-24(20)33)22(31)13-28-8-10-29(11-9-28)23(32)12-17-2-4-18(5-3-17)30-15-25-26-27-30/h2-7,15,22,31H,8-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 510n/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