Found 20 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 |
|---|
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023377
(CHEMBL3329805)Show SMILES CC(C)CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1 Show InChI InChI=1S/C29H38N4O4S/c1-21(2)20-38(35,36)31-24-10-8-23(9-11-24)19-32-15-12-22(13-16-32)18-30-28(34)27-25-6-3-4-7-26(25)33-14-5-17-37-29(27)33/h3-4,6-11,21-22,31H,5,12-20H2,1-2H3,(H,30,34) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023365
(CHEMBL3329814)Show SMILES OCC(O)CN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1 Show InChI InChI=1S/C21H28N2O5/c24-13-16(25)12-22-9-6-15(7-10-22)14-28-21(26)19-17-4-1-2-5-18(17)23-8-3-11-27-20(19)23/h1-2,4-5,15-16,24-25H,3,6-14H2 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023375
(CHEMBL3329807)Show SMILES CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1 Show InChI InChI=1S/C23H29N3O5S/c1-32(28,29)25-19-7-5-18(6-8-19)16-26-11-9-17(10-12-26)15-24-23(27)20-3-2-4-21-22(20)31-14-13-30-21/h2-8,17,25H,9-16H2,1H3,(H,24,27) | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023379
(CHEMBL3329803)Show SMILES CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1 Show InChI InChI=1S/C26H32N4O4S/c1-35(32,33)28-21-9-7-20(8-10-21)18-29-14-11-19(12-15-29)17-27-25(31)24-22-5-2-3-6-23(22)30-13-4-16-34-26(24)30/h2-3,5-10,19,28H,4,11-18H2,1H3,(H,27,31) | PDB
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PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023373
(CHEMBL3329809)Show SMILES CC(C)CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1 Show InChI InChI=1S/C26H35N3O5S/c1-19(2)18-35(31,32)28-22-8-6-21(7-9-22)17-29-12-10-20(11-13-29)16-27-26(30)23-4-3-5-24-25(23)34-15-14-33-24/h3-9,19-20,28H,10-18H2,1-2H3,(H,27,30) | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023376
(CHEMBL3329806)Show SMILES O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1c2OCCCn2c2ccccc12 Show InChI InChI=1S/C31H40N4O4S/c36-30(29-27-9-4-5-10-28(27)35-17-6-20-39-31(29)35)32-21-23-15-18-34(19-16-23)22-24-11-13-25(14-12-24)33-40(37,38)26-7-2-1-3-8-26/h4-5,9-14,23,26,33H,1-3,6-8,15-22H2,(H,32,36) | PDB
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PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM29525
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3 | PDB
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MCE
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| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023374
(CHEMBL3329808)Show SMILES CCCCS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1 Show InChI InChI=1S/C26H35N3O5S/c1-2-3-17-35(31,32)28-22-9-7-21(8-10-22)19-29-13-11-20(12-14-29)18-27-26(30)23-5-4-6-24-25(23)34-16-15-33-24/h4-10,20,28H,2-3,11-19H2,1H3,(H,27,30) | PDB
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| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023366
(CHEMBL3329813)Show SMILES CC(C(O)=O)c1ccc(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1 Show InChI InChI=1S/C28H32N2O5/c1-19(27(31)32)22-9-7-20(8-10-22)17-29-14-11-21(12-15-29)18-35-28(33)25-23-5-2-3-6-24(23)30-13-4-16-34-26(25)30/h2-3,5-10,19,21H,4,11-18H2,1H3,(H,31,32) | PDB
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PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM85026
(N-(1-Butylpiperidine-4-ylmethyl)-1,2-(trimethylene...)Show InChI InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26) | PDB
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MCE
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| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023378
(CHEMBL3329804)Show SMILES CCCCS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1 Show InChI InChI=1S/C29H38N4O4S/c1-2-3-19-38(35,36)31-24-11-9-23(10-12-24)21-32-16-13-22(14-17-32)20-30-28(34)27-25-7-4-5-8-26(25)33-15-6-18-37-29(27)33/h4-5,7-12,22,31H,2-3,6,13-21H2,1H3,(H,30,34) | PDB
UniProtKB/SwissProt
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PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023372
(CHEMBL3329810)Show SMILES O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C28H37N3O5S/c32-28(25-7-4-8-26-27(25)36-18-17-35-26)29-19-21-13-15-31(16-14-21)20-22-9-11-23(12-10-22)30-37(33,34)24-5-2-1-3-6-24/h4,7-12,21,24,30H,1-3,5-6,13-20H2,(H,29,32) | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023368
(CHEMBL3329812)Show SMILES OC(=O)C1CCCC(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)C1 Show InChI InChI=1S/C26H34N2O5/c29-25(30)20-6-3-5-19(15-20)16-27-12-9-18(10-13-27)17-33-26(31)23-21-7-1-2-8-22(21)28-11-4-14-32-24(23)28/h1-2,7-8,18-20H,3-6,9-17H2,(H,29,30) | PDB
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023367
(CHEMBL3329811)Show SMILES OC(=O)C1CCC(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)C1 Show InChI InChI=1S/C25H32N2O5/c28-24(29)19-7-6-18(14-19)15-26-11-8-17(9-12-26)16-32-25(30)22-20-4-1-2-5-21(20)27-10-3-13-31-23(22)27/h1-2,4-5,17-19H,3,6-16H2,(H,28,29) | PDB
UniProtKB/SwissProt
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Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023369
(CHEMBL3329226)Show SMILES OC(=O)C1C2C3CC1C(CN1CCC(COC(=O)c4c5OCCCn5c5ccccc45)CC1)C23 |TLB:9:8:5.6:4.3,THB:1:3:8:5.6| Show InChI InChI=1S/C27H32N2O5/c30-26(31)23-17-12-18-21(22(18)23)19(17)13-28-9-6-15(7-10-28)14-34-27(32)24-16-4-1-2-5-20(16)29-8-3-11-33-25(24)29/h1-2,4-5,15,17-19,21-23H,3,6-14H2,(H,30,31) | PDB
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Similars
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PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023381
(CHEMBL3329801)Show SMILES O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C28H36N4O3S/c33-28(26-19-29-27-9-5-4-8-25(26)27)30-18-21-14-16-32(17-15-21)20-22-10-12-23(13-11-22)31-36(34,35)24-6-2-1-3-7-24/h4-5,8-13,19,21,24,29,31H,1-3,6-7,14-18,20H2,(H,30,33) | PDB
UniProtKB/SwissProt
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Similars
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PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50023380
(CHEMBL3329802)Show SMILES O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CC1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C29H32N4O3S/c34-29(27-19-30-28-9-5-4-8-26(27)28)31-18-22-14-16-33(17-15-22)20-23-10-12-25(13-11-23)32-37(35,36)21-24-6-2-1-3-7-24/h1-13,19,22,30,32H,14-18,20-21H2,(H,31,34) | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50023366
(CHEMBL3329813)Show SMILES CC(C(O)=O)c1ccc(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1 Show InChI InChI=1S/C28H32N2O5/c1-19(27(31)32)22-9-7-20(8-10-22)17-29-14-11-21(12-15-29)18-35-28(33)25-23-5-2-3-6-24(23)30-13-4-16-34-26(25)30/h2-3,5-10,19,21H,4,11-18H2,1H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells assessed as reduction in channel tail current by patch clamp method |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50023365
(CHEMBL3329814)Show SMILES OCC(O)CN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1 Show InChI InChI=1S/C21H28N2O5/c24-13-16(25)12-22-9-6-15(7-10-22)14-28-21(26)19-17-4-1-2-5-18(17)23-8-3-11-27-20(19)23/h1-2,4-5,15-16,24-25H,3,6-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells assessed as reduction in channel tail current by patch clamp method |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50023367
(CHEMBL3329811)Show SMILES OC(=O)C1CCC(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)C1 Show InChI InChI=1S/C25H32N2O5/c28-24(29)19-7-6-18(14-19)15-26-11-8-17(9-12-26)16-32-25(30)22-20-4-1-2-5-21(20)27-10-3-13-31-23(22)27/h1-2,4-5,17-19H,3,6-16H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.09E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells assessed as reduction in channel tail current by patch clamp method |
Bioorg Med Chem Lett 24: 4598-602 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7 |
More data for this
Ligand-Target Pair | |
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