Found 58 hits Enz. Inhib. hit(s) with all data for entry = 50049144 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121344
(CHEMBL3622105 | US9751881, Example 3)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1 |r| Show InChI InChI=1S/C25H28N4O3/c1-17-19(3-4-20-21(17)15-32-24(20)31)22(30)14-28-9-6-25(7-10-28)8-11-29(16-25)23-5-2-18(12-26)13-27-23/h2-5,13,22,30H,6-11,14-16H2,1H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measure of muscarinic m1 receptor antagonist affinity |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235202
(CHEMBL4079335)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2cncc(c2)C#N)CC1 |r| Show InChI InChI=1S/C25H26N4O4/c1-16-19(2-3-20-21(16)14-33-24(20)32)22(30)13-28-6-4-25(5-7-28)9-23(31)29(15-25)18-8-17(10-26)11-27-12-18/h2-3,8,11-12,22,30H,4-7,9,13-15H2,1H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235201
(CHEMBL4066423)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cncc(c2)C#N)CC1 |r| Show InChI InChI=1S/C25H28N4O3/c1-17-20(2-3-21-22(17)15-32-24(21)31)23(30)14-28-7-4-25(5-8-28)6-9-29(16-25)19-10-18(11-26)12-27-13-19/h2-3,10,12-13,23,30H,4-9,14-16H2,1H3/t23-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50121345
(CHEMBL3622104 | US9751881, Example 1)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1 |r| Show InChI InChI=1S/C25H26N4O4/c1-16-18(3-4-19-20(16)14-33-24(19)32)21(30)13-28-8-6-25(7-9-28)10-23(31)29(15-25)22-5-2-17(11-26)12-27-22/h2-5,12,21,30H,6-10,13-15H2,1H3/t21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235200
(CHEMBL4098260)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)23-6-3-18(13-26-23)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells by electrophysiology method |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235197
(CHEMBL4086237)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2cnc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C24H28N4O6S/c1-15-16(3-4-17-18(15)13-34-23(17)31)19(29)12-27-7-5-24(6-8-27)9-22(30)28(14-24)20-10-26-21(11-25-20)35(2,32)33/h3-4,10-11,19,29H,5-9,12-14H2,1-2H3/t19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells by electrophysiology method |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235196
(CHEMBL4064760)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cnc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C24H30N4O5S/c1-16-17(3-4-18-19(16)14-33-23(18)30)20(29)13-27-8-5-24(6-9-27)7-10-28(15-24)21-11-26-22(12-25-21)34(2,31)32/h3-4,11-12,20,29H,5-10,13-15H2,1-2H3/t20-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells by electrophysiology method |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM50235196
(CHEMBL4064760)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cnc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C24H30N4O5S/c1-16-17(3-4-18-19(16)14-33-23(18)30)20(29)13-27-8-5-24(6-9-27)7-10-28(15-24)21-11-26-22(12-25-21)34(2,31)32/h3-4,11-12,20,29H,5-10,13-15H2,1-2H3/t20-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM50235198
(CHEMBL4066256)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H29N3O6S/c1-16-18(4-5-19-20(16)14-34-24(19)31)21(29)13-27-9-7-25(8-10-27)11-23(30)28(15-25)22-6-3-17(12-26-22)35(2,32)33/h3-6,12,21,29H,7-11,13-15H2,1-2H3/t21-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235200
(CHEMBL4098260)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)23-6-3-18(13-26-23)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235198
(CHEMBL4066256)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H29N3O6S/c1-16-18(4-5-19-20(16)14-34-24(19)31)21(29)13-27-9-7-25(8-10-27)11-23(30)28(15-25)22-6-3-17(12-26-22)35(2,32)33/h3-6,12,21,29H,7-11,13-15H2,1-2H3/t21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells by electrophysiology method |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235196
(CHEMBL4064760)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cnc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C24H30N4O5S/c1-16-17(3-4-18-19(16)14-33-23(18)30)20(29)13-27-8-5-24(6-9-27)7-10-28(15-24)21-11-26-22(12-25-21)34(2,31)32/h3-4,11-12,20,29H,5-10,13-15H2,1-2H3/t20-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235199
(CHEMBL4070123)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CCN(CC2)c1ccc(cn1)C#N |r| Show InChI InChI=1S/C26H30N4O3/c1-18-20(3-4-21-22(18)17-33-25(21)32)23(31)16-29-10-6-26(7-11-29)8-12-30(13-9-26)24-5-2-19(14-27)15-28-24/h2-5,15,23,31H,6-13,16-17H2,1H3/t23-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measure of muscarinic m1 receptor antagonist affinity |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50391781
(CHEMBL2146873 | US9073882, 38)Show SMILES Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C23H24FN3O2/c24-22-14-18(1-3-19(22)15-25)6-8-27-11-9-26(10-12-27)7-5-17-2-4-21-20(13-17)16-29-23(21)28/h1-4,13-14H,5-12,16H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235195
(CHEMBL4087218)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(nc2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)18-3-6-23(26-13-18)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in CHO cells by electrophysiology method |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235198
(CHEMBL4066256)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H29N3O6S/c1-16-18(4-5-19-20(16)14-34-24(19)31)21(29)13-27-9-7-25(8-10-27)11-23(30)28(15-25)22-6-3-17(12-26-22)35(2,32)33/h3-6,12,21,29H,7-11,13-15H2,1-2H3/t21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM50235200
(CHEMBL4098260)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)23-6-3-18(13-26-23)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM50235197
(CHEMBL4086237)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2cnc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C24H28N4O6S/c1-15-16(3-4-17-18(15)13-34-23(17)31)19(29)12-27-7-5-24(6-8-27)9-22(30)28(14-24)20-10-26-21(11-25-20)35(2,32)33/h3-4,10-11,19,29H,5-9,12-14H2,1-2H3/t19-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235197
(CHEMBL4086237)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2cnc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C24H28N4O6S/c1-15-16(3-4-17-18(15)13-34-23(17)31)19(29)12-27-7-5-24(6-8-27)9-22(30)28(14-24)20-10-26-21(11-25-20)35(2,32)33/h3-4,10-11,19,29H,5-9,12-14H2,1-2H3/t19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235211
(CHEMBL4093830)Show SMILES Cc1nc(ccc1S(C)(=O)=O)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r| Show InChI InChI=1S/C26H33N3O5S/c1-17-19(4-5-20-21(17)15-34-25(20)31)22(30)14-28-11-8-26(9-12-28)10-13-29(16-26)24-7-6-23(18(2)27-24)35(3,32)33/h4-7,22,30H,8-16H2,1-3H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235208
(CHEMBL4097359)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(nc2)C#N)CC1 |r| Show InChI InChI=1S/C25H28N4O3/c1-17-20(4-5-21-22(17)15-32-24(21)31)23(30)14-28-9-6-25(7-10-28)8-11-29(16-25)19-3-2-18(12-26)27-13-19/h2-5,13,23,30H,6-11,14-16H2,1H3/t23-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235207
(CHEMBL4087753)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C2)c2ccc(cn2)C#N)CC1 |r| Show InChI InChI=1S/C24H26N4O3/c1-16-18(3-4-19-20(16)13-31-23(19)30)21(29)12-27-8-6-24(7-9-27)14-28(15-24)22-5-2-17(10-25)11-26-22/h2-5,11,21,29H,6-9,12-15H2,1H3/t21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50442600
(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
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235210
(CHEMBL4074870)Show SMILES CCS(=O)(=O)c1cnc(cn1)N1CC2(CC1=O)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r| Show InChI InChI=1S/C25H30N4O6S/c1-3-36(33,34)22-12-26-21(11-27-22)29-15-25(10-23(29)31)6-8-28(9-7-25)13-20(30)17-4-5-18-19(16(17)2)14-35-24(18)32/h4-5,11-12,20,30H,3,6-10,13-15H2,1-2H3/t20-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50116795
(CHEMBL3612807)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc(cn2)C#N)CC1 |r| Show InChI InChI=1S/C23H26N4O4/c1-15-17(3-4-18-19(15)14-31-23(18)30)21(28)12-26-6-8-27(9-7-26)13-22(29)20-5-2-16(10-24)11-25-20/h2-5,11,21-22,28-29H,6-9,12-14H2,1H3/t21-,22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50391781
(CHEMBL2146873 | US9073882, 38)Show SMILES Fc1cc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1C#N Show InChI InChI=1S/C23H24FN3O2/c24-22-14-18(1-3-19(22)15-25)6-8-27-11-9-26(10-12-27)7-5-17-2-4-21-20(13-17)16-29-23(21)28/h1-4,13-14H,5-12,16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235199
(CHEMBL4070123)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CCN(CC2)c1ccc(cn1)C#N |r| Show InChI InChI=1S/C26H30N4O3/c1-18-20(3-4-21-22(18)17-33-25(21)32)23(31)16-29-10-6-26(7-11-29)8-12-30(13-9-26)24-5-2-19(14-27)15-28-24/h2-5,15,23,31H,6-13,16-17H2,1H3/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 193 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235195
(CHEMBL4087218)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(nc2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)18-3-6-23(26-13-18)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 226 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM50235195
(CHEMBL4087218)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(nc2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)18-3-6-23(26-13-18)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235206
(CHEMBL4105076)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(nc2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H29N3O6S/c1-16-18(4-5-19-20(16)14-34-24(19)31)21(29)13-27-9-7-25(8-10-27)11-23(30)28(15-25)17-3-6-22(26-12-17)35(2,32)33/h3-6,12,21,29H,7-11,13-15H2,1-2H3/t21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 308 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235203
(CHEMBL4068517)Show SMILES CSc1ccc(cn1)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r| Show InChI InChI=1S/C25H31N3O3S/c1-17-19(4-5-20-21(17)15-31-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)18-3-6-23(32-2)26-13-18/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 901 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235204
(CHEMBL4089640)Show SMILES COc1ccc(cn1)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r| Show InChI InChI=1S/C25H31N3O4/c1-17-19(4-5-20-21(17)15-32-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)18-3-6-23(31-2)26-13-18/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235208
(CHEMBL4097359)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(nc2)C#N)CC1 |r| Show InChI InChI=1S/C25H28N4O3/c1-17-20(4-5-21-22(17)15-32-24(21)31)23(30)14-28-9-6-25(7-10-28)8-11-29(16-25)19-3-2-18(12-26)27-13-19/h2-5,13,23,30H,6-11,14-16H2,1H3/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50442600
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50121345
(CHEMBL3622104 | US9751881, Example 1)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1 |r| Show InChI InChI=1S/C25H26N4O4/c1-16-18(3-4-19-20(16)14-33-24(19)32)21(30)13-28-8-6-25(7-9-28)10-23(31)29(15-25)22-5-2-17(11-26)12-27-22/h2-5,12,21,30H,6-10,13-15H2,1H3/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235202
(CHEMBL4079335)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2cncc(c2)C#N)CC1 |r| Show InChI InChI=1S/C25H26N4O4/c1-16-19(2-3-20-21(16)14-33-24(20)32)22(30)13-28-6-4-25(5-7-28)9-23(31)29(15-25)18-8-17(10-26)11-27-12-18/h2-3,8,11-12,22,30H,4-7,9,13-15H2,1H3/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235201
(CHEMBL4066423)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cncc(c2)C#N)CC1 |r| Show InChI InChI=1S/C25H28N4O3/c1-17-20(2-3-21-22(17)15-32-24(21)31)23(30)14-28-7-4-25(5-8-28)6-9-29(16-25)19-10-18(11-26)12-27-13-19/h2-3,10,12-13,23,30H,4-9,14-16H2,1H3/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50121344
(CHEMBL3622105 | US9751881, Example 3)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)C#N)CC1 |r| Show InChI InChI=1S/C25H28N4O3/c1-17-19(3-4-20-21(17)15-32-24(20)31)22(30)14-28-9-6-25(7-10-28)8-11-29(16-25)23-5-2-18(12-26)13-27-23/h2-5,13,22,30H,6-11,14-16H2,1H3/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235205
(CHEMBL4067468)Show SMILES C[S+]([O-])c1ccc(cn1)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r| Show InChI InChI=1S/C25H31N3O4S/c1-17-19(4-5-20-21(17)15-32-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)18-3-6-23(26-13-18)33(2)31/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-,33?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235204
(CHEMBL4089640)Show SMILES COc1ccc(cn1)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r| Show InChI InChI=1S/C25H31N3O4/c1-17-19(4-5-20-21(17)15-32-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)18-3-6-23(31-2)26-13-18/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235203
(CHEMBL4068517)Show SMILES CSc1ccc(cn1)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r| Show InChI InChI=1S/C25H31N3O3S/c1-17-19(4-5-20-21(17)15-31-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)18-3-6-23(32-2)26-13-18/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235210
(CHEMBL4074870)Show SMILES CCS(=O)(=O)c1cnc(cn1)N1CC2(CC1=O)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r| Show InChI InChI=1S/C25H30N4O6S/c1-3-36(33,34)22-12-26-21(11-27-22)29-15-25(10-23(29)31)6-8-28(9-7-25)13-20(30)17-4-5-18-19(16(17)2)14-35-24(18)32/h4-5,11-12,20,30H,3,6-10,13-15H2,1-2H3/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50235205
(CHEMBL4067468)Show SMILES C[S+]([O-])c1ccc(cn1)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r| Show InChI InChI=1S/C25H31N3O4S/c1-17-19(4-5-20-21(17)15-32-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)18-3-6-23(26-13-18)33(2)31/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-,33?/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235211
(CHEMBL4093830)Show SMILES Cc1nc(ccc1S(C)(=O)=O)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2 |r| Show InChI InChI=1S/C26H33N3O5S/c1-17-19(4-5-20-21(17)15-34-25(20)31)22(30)14-28-11-8-26(9-12-28)10-13-29(16-26)24-7-6-23(18(2)27-24)35(3,32)33/h4-7,22,30H,8-16H2,1-3H3/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235196
(CHEMBL4064760)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2cnc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C24H30N4O5S/c1-16-17(3-4-18-19(16)14-33-23(18)30)20(29)13-27-8-5-24(6-9-27)7-10-28(15-24)21-11-26-22(12-25-21)34(2,31)32/h3-4,11-12,20,29H,5-10,13-15H2,1-2H3/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235207
(CHEMBL4087753)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C2)c2ccc(cn2)C#N)CC1 |r| Show InChI InChI=1S/C24H26N4O3/c1-16-18(3-4-19-20(16)13-31-23(19)30)21(29)12-27-8-6-24(7-9-27)14-28(15-24)22-5-2-17(10-25)11-26-22/h2-5,11,21,29H,6-9,12-15H2,1H3/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235200
(CHEMBL4098260)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)23-6-3-18(13-26-23)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235200
(CHEMBL4098260)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H31N3O5S/c1-17-19(4-5-20-21(17)15-33-24(20)30)22(29)14-27-10-7-25(8-11-27)9-12-28(16-25)23-6-3-18(13-26-23)34(2,31)32/h3-6,13,22,29H,7-12,14-16H2,1-2H3/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235197
(CHEMBL4086237)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2cnc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C24H28N4O6S/c1-15-16(3-4-17-18(15)13-34-23(17)31)19(29)12-27-7-5-24(6-8-27)9-22(30)28(14-24)20-10-26-21(11-25-20)35(2,32)33/h3-4,10-11,19,29H,5-9,12-14H2,1-2H3/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235198
(CHEMBL4066256)Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)C2)c2ccc(cn2)S(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H29N3O6S/c1-16-18(4-5-19-20(16)14-34-24(19)31)21(29)13-27-9-7-25(8-10-27)11-23(30)28(15-25)22-6-3-17(12-26-22)35(2,32)33/h3-6,12,21,29H,7-11,13-15H2,1-2H3/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells |
Bioorg Med Chem Lett 27: 1109-1114 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.032
BindingDB Entry DOI: 10.7270/Q2T43WC8 |
More data for this
Ligand-Target Pair | |
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