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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 = 'BDBM196072'   
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))		BDBM196072
PNG
(US9206199, 177)
Show SMILES Cc1c(ccc2nonc12)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
Show InChI InChI=1S/C22H23N9O3/c1-14-17(3-4-18-22(14)26-34-25-18)19-11-29-6-7-30(10-16(29)12-33-19)21(32)8-15-2-5-20(23-9-15)31-13-24-27-28-31/h2-5,9,13,16,19H,6-8,10-12H2,1H3/t16-,19-/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method

Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM196072
PNG
(US9206199, 177)
Show SMILES Cc1c(ccc2nonc12)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
Show InChI InChI=1S/C22H23N9O3/c1-14-17(3-4-18-22(14)26-34-25-18)19-11-29-6-7-30(10-16(29)12-33-19)21(32)8-15-2-5-20(23-9-15)31-13-24-27-28-31/h2-5,9,13,16,19H,6-8,10-12H2,1H3/t16-,19-/m0/s1
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PC sid
UniChem
US Patent
n/an/a 250n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...

US Patent US9206199 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MND
More data for this
Ligand-Target Pair