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PubMed code 28105264

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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)
BDBM50205694
PNG
(CHEMBL3914024)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCc2c(C1)cnn2-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H21FN4O2/c1-15-16(3-5-20-21(15)14-31-24(20)30)6-8-28-9-7-23-18(13-28)12-27-29(23)19-4-2-17(11-26)22(25)10-19/h2-5,10,12H,6-9,13-14H2,1H3
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PubMed
n/an/a 27n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay


ACS Med Chem Lett 8: 9-10 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00457
BindingDB Entry DOI: 10.7270/Q2HQ41W3
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM50205693
PNG
(CHEMBL3958403)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCc2c(C1)cnn2-c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C25H23N3O4/c1-15-16(2-4-21-22(15)14-32-25(21)30)6-8-27-9-7-23-18(12-27)11-26-28(23)19-3-5-20-17(10-19)13-31-24(20)29/h2-5,10-11H,6-9,12-14H2,1H3
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PubMed
n/an/a 66n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK1 channel expressed in CHO-DHFR cells after 35 mins by 86Rb+ efflux assay


ACS Med Chem Lett 8: 9-10 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00457
BindingDB Entry DOI: 10.7270/Q2HQ41W3
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM50205689
PNG
(CHEMBL3983850)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCc2nc(oc2C1)-c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C25H22N2O5/c1-14-15(2-5-19-20(14)13-31-25(19)29)6-8-27-9-7-21-22(11-27)32-23(26-21)16-3-4-18-17(10-16)12-30-24(18)28/h2-5,10H,6-9,11-13H2,1H3
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PubMed
n/an/a 75n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay


ACS Med Chem Lett 8: 9-10 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00457
BindingDB Entry DOI: 10.7270/Q2HQ41W3
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM50205692
PNG
(CHEMBL3975647)
Show SMILES C[C@@H]1Cc2cc(ccc2C(=O)O1)C1C[C@H]2CN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CCN2C1
Show InChI InChI=1S/C28H32N2O5/c1-16-9-19-10-18(3-4-23(19)28(33)35-16)20-11-21-13-29(7-8-30(21)12-20)14-26(31)22-5-6-24-25(17(22)2)15-34-27(24)32/h3-6,10,16,20-21,26,31H,7-9,11-15H2,1-2H3/t16-,20?,21+,26+/m1/s1
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n/an/a 81n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay


ACS Med Chem Lett 8: 9-10 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00457
BindingDB Entry DOI: 10.7270/Q2HQ41W3
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM50205690
PNG
(CHEMBL3904835)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCc2nc(ncc2C1)-c1ccc(cc1F)C#N
Show InChI InChI=1S/C25H21FN4O3/c1-14-17(4-5-18-20(14)13-33-25(18)32)23(31)12-30-7-6-22-16(11-30)10-28-24(29-22)19-3-2-15(9-27)8-21(19)26/h2-5,8,10,23,31H,6-7,11-13H2,1H3
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PubMed
n/an/a 463n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay


ACS Med Chem Lett 8: 9-10 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00457
BindingDB Entry DOI: 10.7270/Q2HQ41W3
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM50205691
PNG
(CHEMBL3930903)
Show SMILES Cc1cc(ccc1-c1ncc2CN(CCc3ccc4C(=O)OCc4c3C)CCc2n1)C#N
Show InChI InChI=1S/C26H24N4O2/c1-16-11-18(12-27)3-5-21(16)25-28-13-20-14-30(10-8-24(20)29-25)9-7-19-4-6-22-23(17(19)2)15-32-26(22)31/h3-6,11,13H,7-10,14-15H2,1-2H3
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Article
PubMed
n/an/a 477n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay


ACS Med Chem Lett 8: 9-10 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00457
BindingDB Entry DOI: 10.7270/Q2HQ41W3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%