Found 7 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)) | 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 tail current after 5 mins by patch-clamp method |
Bioorg Med Chem Lett 24: 2909-12 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019334
(CHEMBL3289444)Show SMILES CC(C)OC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C23H36N4O4S/c1-18(2)31-21(28)26-14-7-22(3,8-15-26)16-25-12-9-23(10-13-25)17-27(32(4,29)30)20-19(23)6-5-11-24-20/h5-6,11,18H,7-10,12-17H2,1-4H3 | 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 | 2.75E+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 tail current after 5 mins by patch-clamp method |
Bioorg Med Chem Lett 24: 2909-12 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019336
(CHEMBL3289442)Show SMILES CCOC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C22H34N4O4S/c1-4-30-20(27)25-14-7-21(2,8-15-25)16-24-12-9-22(10-13-24)17-26(31(3,28)29)19-18(22)6-5-11-23-19/h5-6,11H,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 | 3.63E+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 tail current after 5 mins by patch-clamp method |
Bioorg Med Chem Lett 24: 2909-12 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019337
(CHEMBL3289443)Show SMILES COC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C21H32N4O4S/c1-20(6-13-24(14-7-20)19(26)29-2)15-23-11-8-21(9-12-23)16-25(30(3,27)28)18-17(21)5-4-10-22-18/h4-5,10H,6-9,11-16H2,1-3H3 | 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 | 1.70E+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 tail current after 5 mins by patch-clamp method |
Bioorg Med Chem Lett 24: 2909-12 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 93 | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 24: 2909-12 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(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 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 352 | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 24: 2909-12 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50019336
(CHEMBL3289442)Show SMILES CCOC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1 Show InChI InChI=1S/C22H34N4O4S/c1-4-30-20(27)25-14-7-21(2,8-15-25)16-24-12-9-22(10-13-24)17-26(31(3,28)29)19-18(22)6-5-11-23-19/h5-6,11H,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 | 13 | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 24: 2909-12 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM |
More data for this
Ligand-Target Pair | |
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