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SMILES: O=C(C1CCc2cc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1

InChI Key: InChIKey=GWYZUXZJVMGYTN-BIYQJSDESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 290037   
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))
BDBM290037
PNG
(US9573961, Example 22 | US9573961, Example 86 | US...)
Show SMILES O=C(C1CCc2cc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
Show InChI InChI=1S/C27H28N6O4/c34-26(24-5-1-17-12-20(3-6-22(17)24)33-16-28-29-30-33)32-9-8-31-14-25(37-15-21(31)13-32)19-2-4-23-18(11-19)7-10-36-27(23)35/h2-4,6,11-12,16,21,24-25H,1,5,7-10,13-15H2/t21-,24?,25-/m0/s1
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)


BindingDB Entry DOI: 10.7270/Q241704N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM290037
PNG
(US9573961, Example 22 | US9573961, Example 86 | US...)
Show SMILES O=C(C1CCc2cc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
Show InChI InChI=1S/C27H28N6O4/c34-26(24-5-1-17-12-20(3-6-22(17)24)33-16-28-29-30-33)32-9-8-31-14-25(37-15-21(31)13-32)19-2-4-23-18(11-19)7-10-36-27(23)35/h2-4,6,11-12,16,21,24-25H,1,5,7-10,13-15H2/t21-,24?,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)


BindingDB Entry DOI: 10.7270/Q241704N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM290037
PNG
(US9573961, Example 22 | US9573961, Example 86 | US...)
Show SMILES O=C(C1CCc2cc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
Show InChI InChI=1S/C27H28N6O4/c34-26(24-5-1-17-12-20(3-6-22(17)24)33-16-28-29-30-33)32-9-8-31-14-25(37-15-21(31)13-32)19-2-4-23-18(11-19)7-10-36-27(23)35/h2-4,6,11-12,16,21,24-25H,1,5,7-10,13-15H2/t21-,24?,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9573961 (2017)


BindingDB Entry DOI: 10.7270/Q241704N
More data for this
Ligand-Target Pair