Found 9 hits of Enzyme Inhibition Constant Data 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50044633
(CHEMBL3310801)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(C(N)=O)c4ncccc34)CC2)CC1 Show InChI InChI=1S/C21H31N5O3/c1-2-29-20(28)25-10-5-16(6-11-25)14-24-12-7-21(8-13-24)15-26(19(22)27)18-17(21)4-3-9-23-18/h3-4,9,16H,2,5-8,10-15H2,1H3,(H2,22,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50044630
(CHEMBL3310798)Show SMILES CCNC(=O)N1CC2(CCN(CC3CCN(CC3)C(=O)OCC)CC2)c2cccnc12 Show InChI InChI=1S/C23H35N5O3/c1-3-24-21(29)28-17-23(19-6-5-11-25-20(19)28)9-14-26(15-10-23)16-18-7-12-27(13-8-18)22(30)31-4-2/h5-6,11,18H,3-4,7-10,12-17H2,1-2H3,(H,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50044632
(CHEMBL3310800)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)NC)c4ncccc34)CC2)CC1 Show InChI InChI=1S/C22H33N5O3/c1-3-30-21(29)26-11-6-17(7-12-26)15-25-13-8-22(9-14-25)16-27(20(28)23-2)19-18(22)5-4-10-24-19/h4-5,10,17H,3,6-9,11-16H2,1-2H3,(H,23,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019335
(CHEMBL3289440)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C21H32N4O4S/c1-3-29-20(26)24-11-6-17(7-12-24)15-23-13-8-21(9-14-23)16-25(30(2,27)28)19-18(21)5-4-10-22-19/h4-5,10,17H,3,6-9,11-16H2,1-2H3 | 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 | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50044631
(CHEMBL3310799)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(CC)CC)c4ncccc34)CC2)CC1 Show InChI InChI=1S/C25H39N5O3/c1-4-28(5-2)23(31)30-19-25(21-8-7-13-26-22(21)30)11-16-27(17-12-25)18-20-9-14-29(15-10-20)24(32)33-6-3/h7-8,13,20H,4-6,9-12,14-19H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50044629
(CHEMBL2407174)Show SMILES CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)N(CC)c2ncccc32)CC1 Show InChI InChI=1S/C23H34N4O3/c1-3-27-20(28)16-23(19-6-5-11-24-21(19)27)9-14-25(15-10-23)17-18-7-12-26(13-8-18)22(29)30-4-2/h5-6,11,18H,3-4,7-10,12-17H2,1-2H3 | 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 | 2.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50044634
(CHEMBL3310802)Show SMILES OC(=O)\C=C\C(O)=O.CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1 Show InChI InChI=1S/C23H35N5O3/c1-4-31-22(30)27-12-7-18(8-13-27)16-26-14-9-23(10-15-26)17-28(21(29)25(2)3)20-19(23)6-5-11-24-20/h5-6,11,18H,4,7-10,12-17H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50044634
(CHEMBL3310802)Show SMILES OC(=O)\C=C\C(O)=O.CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1 Show InChI InChI=1S/C23H35N5O3/c1-4-31-22(30)27-12-7-18(8-13-27)16-26-14-9-23(10-15-26)17-28(21(29)25(2)3)20-19(23)6-5-11-24-20/h5-6,11,18H,4,7-10,12-17H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 47 | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) by calcium mobilization assay |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50044634
(CHEMBL3310802)Show SMILES OC(=O)\C=C\C(O)=O.CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1 Show InChI InChI=1S/C23H35N5O3/c1-4-31-22(30)27-12-7-18(8-13-27)16-26-14-9-23(10-15-26)17-28(21(29)25(2)3)20-19(23)6-5-11-24-20/h5-6,11,18H,4,7-10,12-17H2,1-3H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 133 | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) by calcium mobilization assay |
Bioorg Med Chem Lett 24: 3189-93 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74 |
More data for this
Ligand-Target Pair | |
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