new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 77 hits Enz. Inhib. hit(s) with all data for entry = 50047373   
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))
BDBM162872
PNG
(US9056859, 72)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C23H25N7O3/c1-16-18(3-4-19-20(16)14-33-23(19)32)6-7-28-8-10-29(11-9-28)22(31)12-17-2-5-21(24-13-17)30-15-25-26-27-30/h2-5,13,15H,6-12,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells by whole-cell voltage clamp method


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50163360
PNG
(CHEMBL3792978)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1/C23H24FN7O3/c1-15-17(3-4-18-19(15)13-34-23(18)33)20(24)12-29-6-8-30(9-7-29)22(32)10-16-2-5-21(25-11-16)31-14-26-27-28-31/h2-5,11,14,20H,6-10,12-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells by whole-cell voltage clamp method


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50163371
PNG
(CHEMBL3794155)
Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C22H23N7O3/c30-21(12-17-2-4-20(23-13-17)29-15-24-25-26-29)28-9-7-27(8-10-28)6-5-16-1-3-19-18(11-16)14-32-22(19)31/h1-4,11,13,15H,5-10,12,14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells by whole-cell voltage clamp method


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM162872
PNG
(US9056859, 72)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C23H25N7O3/c1-16-18(3-4-19-20(16)14-33-23(19)32)6-7-28-8-10-29(11-9-28)22(31)12-17-2-5-21(24-13-17)30-15-25-26-27-30/h2-5,13,15H,6-12,14H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM162872
PNG
(US9056859, 72)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C23H25N7O3/c1-16-18(3-4-19-20(16)14-33-23(19)32)6-7-28-8-10-29(11-9-28)22(31)12-17-2-5-21(24-13-17)30-15-25-26-27-30/h2-5,13,15H,6-12,14H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK assessed as thallium flux after 30 mins in presence of ouabain by cell based FLIPR assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50442600
PNG
(CHEMBL2441437 | US9056859, 1)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C23H24N6O3/c30-22(14-17-1-4-20(5-2-17)29-16-24-25-26-29)28-11-9-27(10-12-28)8-7-18-3-6-21-19(13-18)15-32-23(21)31/h1-6,13,16H,7-12,14-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells by whole-cell voltage clamp method


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50163353
PNG
(CHEMBL3793380)
Show SMILES Cc1cc(cnc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
Show InChI InChI=1S/C24H27N7O3/c1-16-11-19(31-15-26-27-28-31)13-25-22(16)12-23(32)30-9-7-29(8-10-30)6-5-18-3-4-20-21(17(18)2)14-34-24(20)33/h3-4,11,13,15H,5-10,12,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 66n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells by whole-cell voltage clamp method


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163355
PNG
(CHEMBL3793685)
Show SMILES Cc1nc(ccc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
Show InChI InChI=1S/C24H27N7O3/c1-16-18(3-5-20-21(16)14-34-24(20)33)7-8-29-9-11-30(12-10-29)23(32)13-19-4-6-22(26-17(19)2)31-15-25-27-28-31/h3-6,15H,7-14H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50442609
PNG
(CHEMBL2441417)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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 by whole-cell voltage clamp method


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163368
PNG
(CHEMBL3794427)
Show SMILES FC1(CCc2ccc3C(=O)OCc3c2)CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H24FN5O3/c25-24(8-7-18-3-6-21-19(13-18)15-33-23(21)32)9-11-29(12-10-24)22(31)14-17-1-4-20(5-2-17)30-16-26-27-28-30/h1-6,13,16H,7-12,14-15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 73n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163353
PNG
(CHEMBL3793380)
Show SMILES Cc1cc(cnc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
Show InChI InChI=1S/C24H27N7O3/c1-16-11-19(31-15-26-27-28-31)13-25-22(16)12-23(32)30-9-7-29(8-10-30)6-5-18-3-4-20-21(17(18)2)14-34-24(20)33/h3-4,11,13,15H,5-10,12,14H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 79n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163371
PNG
(CHEMBL3794155)
Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C22H23N7O3/c30-21(12-17-2-4-20(23-13-17)29-15-24-25-26-29)28-9-7-27(8-10-28)6-5-16-1-3-19-18(11-16)14-32-22(19)31/h1-4,11,13,15H,5-10,12,14H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 86n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50163359
PNG
(CHEMBL3794292)
Show SMILES CC(CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1/C24H27N7O3/c1-16(19-4-5-20-21(17(19)2)14-34-24(20)33)13-29-7-9-30(10-8-29)23(32)11-18-3-6-22(25-12-18)31-15-26-27-28-31/h3-6,12,15-16H,7-11,13-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 95n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells by whole-cell voltage clamp method


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163366
PNG
(CHEMBL3792423)
Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCC(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C23H24N6O3/c30-22(12-18-4-6-21(24-13-18)29-15-25-26-27-29)28-9-7-16(8-10-28)1-2-17-3-5-20-19(11-17)14-32-23(20)31/h3-6,11,13,15-16H,1-2,7-10,12,14H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50163366
PNG
(CHEMBL3792423)
Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCC(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C23H24N6O3/c30-22(12-18-4-6-21(24-13-18)29-15-25-26-27-29)28-9-7-16(8-10-28)1-2-17-3-5-20-19(11-17)14-32-23(20)31/h3-6,11,13,15-16H,1-2,7-10,12,14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells by whole-cell voltage clamp method


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163370
PNG
(CHEMBL3792542)
Show SMILES Cc1c2COC(=O)c2ccc1CCC1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C25H27N5O3/c1-17-20(6-9-22-23(17)15-33-25(22)32)5-2-18-10-12-29(13-11-18)24(31)14-19-3-7-21(8-4-19)30-16-26-27-28-30/h3-4,6-9,16,18H,2,5,10-15H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163352
PNG
(CHEMBL3793143)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1cnc(cn1)-n1cnnn1
Show InChI InChI=1S/C22H24N8O3/c1-15-16(2-3-18-19(15)13-33-22(18)32)4-5-28-6-8-29(9-7-28)21(31)10-17-11-24-20(12-23-17)30-14-25-26-27-30/h2-3,11-12,14H,4-10,13H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163364
PNG
(CHEMBL3794510)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCC(CC1)\C=C\c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C24H23N5O3/c30-23(14-19-3-6-21(7-4-19)29-16-25-26-27-29)28-11-9-17(10-12-28)1-2-18-5-8-22-20(13-18)15-32-24(22)31/h1-8,13,16-17H,9-12,14-15H2/b2-1+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50442609
PNG
(CHEMBL2441417)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H26N6O3/c1-17-19(4-7-21-22(17)15-33-24(21)32)8-9-28-10-12-29(13-11-28)23(31)14-18-2-5-20(6-3-18)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163375
PNG
(CHEMBL3793857)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCC(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C24H25N5O3/c30-23(14-19-3-6-21(7-4-19)29-16-25-26-27-29)28-11-9-17(10-12-28)1-2-18-5-8-22-20(13-18)15-32-24(22)31/h3-8,13,16-17H,1-2,9-12,14-15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163360
PNG
(CHEMBL3792978)
Show SMILES Cc1c2COC(=O)c2ccc1C(F)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1/C23H24FN7O3/c1-15-17(3-4-18-19(15)13-34-23(18)33)20(24)12-29-6-8-30(9-7-29)22(32)10-16-2-5-21(25-11-16)31-14-26-27-28-31/h2-5,11,14,20H,6-10,12-13H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163372
PNG
(CHEMBL3793471)
Show SMILES O=C(Cc1ccc(cn1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C22H23N7O3/c30-21(12-18-2-3-19(13-23-18)29-15-24-25-26-29)28-9-7-27(8-10-28)6-5-16-1-4-20-17(11-16)14-32-22(20)31/h1-4,11,13,15H,5-10,12,14H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163354
PNG
(CHEMBL3792700)
Show SMILES Cc1cc(ncc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
Show InChI InChI=1S/C24H27N7O3/c1-16-11-22(31-15-26-27-28-31)25-13-19(16)12-23(32)30-9-7-29(8-10-30)6-5-18-3-4-20-21(17(18)2)14-34-24(20)33/h3-4,11,13,15H,5-10,12,14H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 257n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163359
PNG
(CHEMBL3794292)
Show SMILES CC(CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1/C24H27N7O3/c1-16(19-4-5-20-21(17(19)2)14-34-24(20)33)13-29-7-9-30(10-8-29)23(32)11-18-3-6-22(25-12-18)31-15-26-27-28-31/h3-6,12,15-16H,7-11,13-14H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 270n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163357
PNG
(CHEMBL3794533)
Show SMILES CC(C(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)c1ccc(nc1C)-n1cnnn1
Show InChI InChI=1/C25H29N7O3/c1-16-19(4-5-21-22(16)14-35-25(21)34)8-9-30-10-12-31(13-11-30)24(33)17(2)20-6-7-23(27-18(20)3)32-15-26-28-29-32/h4-7,15,17H,8-14H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 430n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163377
PNG
(CHEMBL3792966)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cn1)-n1cnnn1
Show InChI InChI=1S/C23H25N7O3/c1-16-17(2-5-20-21(16)14-33-23(20)32)6-7-28-8-10-29(11-9-28)22(31)12-18-3-4-19(13-24-18)30-15-25-26-27-30/h2-5,13,15H,6-12,14H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 580n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163365
PNG
(CHEMBL3794249)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CC2C(CCc3ccc4C(=O)OCc4c3)C2C1
Show InChI InChI=1/C24H23N5O3/c30-23(10-16-1-5-18(6-2-16)29-14-25-26-27-29)28-11-21-20(22(21)12-28)8-4-15-3-7-19-17(9-15)13-32-24(19)31/h1-3,5-7,9,14,20-22H,4,8,10-13H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163363
PNG
(CHEMBL3792410)
Show SMILES COc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1/C23H25N7O5/c1-34-22-17(4-3-16-18(22)13-35-23(16)33)19(31)12-28-6-8-29(9-7-28)21(32)10-15-2-5-20(24-11-15)30-14-25-26-27-30/h2-5,11,14,19,31H,6-10,12-13H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163358
PNG
(CHEMBL3793411)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1cncc(c1)-n1cnnn1
Show InChI InChI=1S/C23H25N7O3/c1-16-18(2-3-20-21(16)14-33-23(20)32)4-5-28-6-8-29(9-7-28)22(31)11-17-10-19(13-24-12-17)30-15-25-26-27-30/h2-3,10,12-13,15H,4-9,11,14H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163361
PNG
(CHEMBL3794233)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1/C23H25N7O4/c1-15-17(3-4-18-19(15)13-34-23(18)33)20(31)12-28-6-8-29(9-7-28)22(32)10-16-2-5-21(24-11-16)30-14-25-26-27-30/h2-5,11,14,20,31H,6-10,12-13H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163364
PNG
(CHEMBL3794510)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCC(CC1)\C=C\c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C24H23N5O3/c30-23(14-19-3-6-21(7-4-19)29-16-25-26-27-29)28-11-9-17(10-12-28)1-2-18-5-8-22-20(13-18)15-32-24(22)31/h1-8,13,16-17H,9-12,14-15H2/b2-1+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163366
PNG
(CHEMBL3792423)
Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCC(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C23H24N6O3/c30-22(12-18-4-6-21(24-13-18)29-15-25-26-27-29)28-9-7-16(8-10-28)1-2-17-3-5-20-19(11-17)14-32-23(20)31/h3-6,11,13,15-16H,1-2,7-10,12,14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology analysis


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163368
PNG
(CHEMBL3794427)
Show SMILES FC1(CCc2ccc3C(=O)OCc3c2)CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H24FN5O3/c25-24(8-7-18-3-6-21-19(13-18)15-33-23(21)32)9-11-29(12-10-24)22(31)14-17-1-4-20(5-2-17)30-16-26-27-28-30/h1-6,13,16H,7-12,14-15H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163362
PNG
(CHEMBL3792808)
Show SMILES COC(CN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1/C24H27N7O4/c1-16-18(4-5-19-20(16)14-35-24(19)33)21(34-2)13-29-7-9-30(10-8-29)23(32)11-17-3-6-22(25-12-17)31-15-26-27-28-31/h3-6,12,15,21H,7-11,13-14H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163369
PNG
(CHEMBL3792861)
Show SMILES OC1(CCc2ccc3C(=O)OCc3c2)CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H25N5O4/c30-22(14-17-1-4-20(5-2-17)29-16-25-26-27-29)28-11-9-24(32,10-12-28)8-7-18-3-6-21-19(13-18)15-33-23(21)31/h1-6,13,16,32H,7-12,14-15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163357
PNG
(CHEMBL3794533)
Show SMILES CC(C(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)c1ccc(nc1C)-n1cnnn1
Show InChI InChI=1/C25H29N7O3/c1-16-19(4-5-21-22(16)14-35-25(21)34)8-9-30-10-12-31(13-11-30)24(33)17(2)20-6-7-23(27-18(20)3)32-15-26-28-29-32/h4-7,15,17H,8-14H2,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163374
PNG
(CHEMBL3794101)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3n2)CC1
Show InChI InChI=1S/C22H23N7O3/c30-21(13-16-1-4-18(5-2-16)29-15-23-25-26-29)28-11-9-27(10-12-28)8-7-17-3-6-19-20(24-17)14-32-22(19)31/h1-6,15H,7-14H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163371
PNG
(CHEMBL3794155)
Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C22H23N7O3/c30-21(12-17-2-4-20(23-13-17)29-15-24-25-26-29)28-9-7-27(8-10-28)6-5-16-1-3-19-18(11-16)14-32-22(19)31/h1-4,11,13,15H,5-10,12,14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology analysis


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50442600
PNG
(CHEMBL2441437 | US9056859, 1)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C23H24N6O3/c30-22(14-17-1-4-20(5-2-17)29-16-24-25-26-29)28-11-9-27(10-12-28)8-7-18-3-6-21-19(13-18)15-32-23(21)31/h1-6,13,16H,7-12,14-15H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology analysis


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163365
PNG
(CHEMBL3794249)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CC2C(CCc3ccc4C(=O)OCc4c3)C2C1
Show InChI InChI=1/C24H23N5O3/c30-23(10-16-1-5-18(6-2-16)29-14-25-26-27-29)28-11-21-20(22(21)12-28)8-4-15-3-7-19-17(9-15)13-32-24(19)31/h1-3,5-7,9,14,20-22H,4,8,10-13H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163366
PNG
(CHEMBL3792423)
Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCC(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C23H24N6O3/c30-22(12-18-4-6-21(24-13-18)29-15-25-26-27-29)28-9-7-16(8-10-28)1-2-17-3-5-20-19(11-17)14-32-23(20)31/h3-6,11,13,15-16H,1-2,7-10,12,14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163370
PNG
(CHEMBL3792542)
Show SMILES Cc1c2COC(=O)c2ccc1CCC1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C25H27N5O3/c1-17-20(6-9-22-23(17)15-33-25(22)32)5-2-18-10-12-29(13-11-18)24(31)14-19-3-7-21(8-4-19)30-16-26-27-28-30/h3-4,6-9,16,18H,2,5,10-15H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163375
PNG
(CHEMBL3793857)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCC(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C24H25N5O3/c30-23(14-19-3-6-21(7-4-19)29-16-25-26-27-29)28-11-9-17(10-12-28)1-2-18-5-8-22-20(13-18)15-32-24(22)31/h3-8,13,16-17H,1-2,9-12,14-15H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163369
PNG
(CHEMBL3792861)
Show SMILES OC1(CCc2ccc3C(=O)OCc3c2)CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C24H25N5O4/c30-22(14-17-1-4-20(5-2-17)29-16-25-26-27-29)28-11-9-24(32,10-12-28)8-7-18-3-6-21-19(13-18)15-33-23(21)31/h1-6,13,16,32H,7-12,14-15H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163367
PNG
(CHEMBL3793060)
Show SMILES O=C(Cc1ccc(cn1)-n1cnnn1)N1CCC(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C23H24N6O3/c30-22(12-19-4-5-20(13-24-19)29-15-25-26-27-29)28-9-7-16(8-10-28)1-2-17-3-6-21-18(11-17)14-32-23(21)31/h3-6,11,13,15-16H,1-2,7-10,12,14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163355
PNG
(CHEMBL3793685)
Show SMILES Cc1nc(ccc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
Show InChI InChI=1S/C24H27N7O3/c1-16-18(3-5-20-21(16)14-34-24(20)33)7-8-29-9-11-30(12-10-29)23(32)13-19-4-6-22(26-17(19)2)31-15-25-27-28-31/h3-6,15H,7-14H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163354
PNG
(CHEMBL3792700)
Show SMILES Cc1cc(ncc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
Show InChI InChI=1S/C24H27N7O3/c1-16-11-22(31-15-26-27-28-31)25-13-19(16)12-23(32)30-9-7-29(8-10-30)6-5-18-3-4-20-21(17(18)2)14-34-24(20)33/h3-4,11,13,15H,5-10,12,14H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 9.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50163371
PNG
(CHEMBL3794155)
Show SMILES O=C(Cc1ccc(nc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C22H23N7O3/c30-21(12-17-2-4-20(23-13-17)29-15-24-25-26-29)28-9-7-27(8-10-28)6-5-16-1-3-19-18(11-16)14-32-22(19)31/h1-4,11,13,15H,5-10,12,14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163367
PNG
(CHEMBL3793060)
Show SMILES O=C(Cc1ccc(cn1)-n1cnnn1)N1CCC(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C23H24N6O3/c30-22(12-19-4-5-20(13-24-19)29-15-25-26-27-29)28-9-7-16(8-10-28)1-2-17-3-6-21-18(11-17)14-32-23(21)31/h3-6,11,13,15-16H,1-2,7-10,12,14H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM50163356
PNG
(CHEMBL3793717)
Show SMILES CC(C(=O)N1CCN(CCc2ccc3C(=O)OCc3c2C)CC1)c1cnc(cc1C)-n1cnnn1
Show InChI InChI=1/C25H29N7O3/c1-16-12-23(32-15-27-28-29-32)26-13-21(16)18(3)24(33)31-10-8-30(9-11-31)7-6-19-4-5-20-22(17(19)2)14-35-25(20)34/h4-5,12-13,15,18H,6-11,14H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay


Bioorg Med Chem Lett 26: 2339-43 (2016)


BindingDB Entry DOI: 10.7270/Q2668G3Q
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 77 total )  |  Next  |  Last  >>
Jump to: