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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATP-sensitive inward rectifier potassium channel 1' and Ligand = 'BDBM290059'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM290059
PNG
(US9573961, Example 44 | US9573961, Example 74)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1Cc2ccc(cc2C1)-n1cnnn1 |r|
Show InChI InChI=1S/C26H26FN7O2/c1-16-22(4-5-24(27)23(16)11-28)25-13-32-6-7-33(12-21(32)14-36-25)26(35)19-8-17-2-3-20(10-18(17)9-19)34-15-29-30-31-34/h2-5,10,15,19,21,25H,6-9,12-14H2,1H3/t19?,21-,25+/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 370n/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))
BDBM290059
PNG
(US9573961, Example 44 | US9573961, Example 74)
Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1Cc2ccc(cc2C1)-n1cnnn1 |r|
Show InChI InChI=1S/C26H26FN7O2/c1-16-22(4-5-24(27)23(16)11-28)25-13-32-6-7-33(12-21(32)14-36-25)26(35)19-8-17-2-3-20(10-18(17)9-19)34-15-29-30-31-34/h2-5,10,15,19,21,25H,6-9,12-14H2,1H3/t19?,21-,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 370n/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