Found 33 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 |
|---|
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414964
(CHEMBL271128)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccncc1 Show InChI InChI=1S/C29H33N3O3/c1-34-26-8-4-5-9-27(26)35-25-7-3-2-6-24(25)22-31-18-12-29(13-19-31)14-20-32(21-15-29)28(33)23-10-16-30-17-11-23/h2-11,16-17H,12-15,18-22H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50423492
(CHEMBL409648)Show SMILES COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C30H33ClN2O3/c1-35-27-7-2-3-8-28(27)36-26-6-4-5-23(21-26)22-32-17-13-30(14-18-32)15-19-33(20-16-30)29(34)24-9-11-25(31)12-10-24/h2-12,21H,13-20,22H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50411749
(CHEMBL271127)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccccn1 Show InChI InChI=1S/C29H33N3O3/c1-34-26-11-4-5-12-27(26)35-25-10-3-2-8-23(25)22-31-18-13-29(14-19-31)15-20-32(21-16-29)28(33)24-9-6-7-17-30-24/h2-12,17H,13-16,18-22H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414967
(CHEMBL271801)Show SMILES O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncc1 Show InChI InChI=1S/C28H31N3O2/c32-27(24-9-15-29-16-10-24)31-19-13-28(14-20-31)11-17-30(18-12-28)22-23-5-4-8-26(21-23)33-25-6-2-1-3-7-25/h1-10,15-16,21H,11-14,17-20,22H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414957
(CHEMBL429436)Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 Show InChI InChI=1S/C29H31ClN2O2/c30-25-11-9-24(10-12-25)28(33)32-19-15-29(16-20-32)13-17-31(18-14-29)22-23-5-4-8-27(21-23)34-26-6-2-1-3-7-26/h1-12,21H,13-20,22H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50423493
(CHEMBL411651)Show SMILES COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2cccc[n+]2[O-])c1 Show InChI InChI=1S/C29H33N3O4/c1-35-26-10-2-3-11-27(26)36-24-8-6-7-23(21-24)22-30-17-12-29(13-18-30)14-19-31(20-15-29)28(33)25-9-4-5-16-32(25)34/h2-11,16,21H,12-15,17-20,22H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414968
(CHEMBL410885)Show SMILES O=C(N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1)c1ccncn1 Show InChI InChI=1S/C27H30N4O2/c32-26(25-9-14-28-21-29-25)31-17-12-27(13-18-31)10-15-30(16-11-27)20-22-5-4-8-24(19-22)33-23-6-2-1-3-7-23/h1-9,14,19,21H,10-13,15-18,20H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414969
(CHEMBL272022)Show SMILES COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2cc[n+]([O-])cc2)c1 Show InChI InChI=1S/C29H33N3O4/c1-35-26-7-2-3-8-27(26)36-25-6-4-5-23(21-25)22-30-17-11-29(12-18-30)13-19-31(20-14-29)28(33)24-9-15-32(34)16-10-24/h2-10,15-16,21H,11-14,17-20,22H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50423496
(CHEMBL271768)Show SMILES O=C(N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)CC2)CC1)c1ccncc1 Show InChI InChI=1S/C28H31N3O2/c32-27(23-10-16-29-17-11-23)31-20-14-28(15-21-31)12-18-30(19-13-28)22-24-6-4-5-9-26(24)33-25-7-2-1-3-8-25/h1-11,16-17H,12-15,18-22H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414959
(CHEMBL409224)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H33ClN2O3/c1-35-27-8-4-5-9-28(27)36-26-7-3-2-6-24(26)22-32-18-14-30(15-19-32)16-20-33(21-17-30)29(34)23-10-12-25(31)13-11-23/h2-13H,14-22H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50423495
(CHEMBL270969)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1cccc[n+]1[O-] Show InChI InChI=1S/C29H33N3O4/c1-35-26-11-4-5-12-27(26)36-25-10-3-2-8-23(25)22-30-18-13-29(14-19-30)15-20-31(21-16-29)28(33)24-9-6-7-17-32(24)34/h2-12,17H,13-16,18-22H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414958
(CHEMBL259243)Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)CC2)CC1 Show InChI InChI=1S/C29H31ClN2O2/c30-25-12-10-23(11-13-25)28(33)32-20-16-29(17-21-32)14-18-31(19-15-29)22-24-6-4-5-9-27(24)34-26-7-2-1-3-8-26/h1-13H,14-22H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50414965
(CHEMBL270971)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1cc[n+]([O-])cc1 Show InChI InChI=1S/C29H33N3O4/c1-35-26-8-4-5-9-27(26)36-25-7-3-2-6-24(25)22-30-18-12-29(13-19-30)14-20-31(21-15-29)28(33)23-10-16-32(34)17-11-23/h2-11,16-17H,12-15,18-22H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411749
(CHEMBL271127)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccccn1 Show InChI InChI=1S/C29H33N3O3/c1-34-26-11-4-5-12-27(26)35-25-10-3-2-8-23(25)22-31-18-13-29(14-19-31)15-20-32(21-16-29)28(33)24-9-6-7-17-30-24/h2-12,17H,13-16,18-22H2,1H3 | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 8
(Homo sapiens (Human)) | BDBM50423494
(CHEMBL409849)Show SMILES [O-][n+]1ccc(cc1)C(=O)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 Show InChI InChI=1S/C28H31N3O3/c32-27(24-9-15-31(33)16-10-24)30-19-13-28(14-20-30)11-17-29(18-12-28)22-23-5-4-8-26(21-23)34-25-6-2-1-3-7-25/h1-10,15-16,21H,11-14,17-20,22H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR8 receptor |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411756
(CHEMBL272241)Show InChI InChI=1S/C18H27ClN2O2/c19-18-11-17(2-1-15(18)13-22)23-16-5-9-21(10-6-16)12-14-3-7-20-8-4-14/h1-2,11,14,16,20,22H,3-10,12-13H2 | 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 | 2.95E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411747
(CHEMBL402450)Show SMILES COC(=O)CCCN1CCC(CN2CCC(CC2)Oc2ccc(CO)c(Cl)c2)CC1 Show InChI InChI=1S/C23H35ClN2O4/c1-29-23(28)3-2-10-25-11-6-18(7-12-25)16-26-13-8-20(9-14-26)30-21-5-4-19(17-27)22(24)15-21/h4-5,15,18,20,27H,2-3,6-14,16-17H2,1H3 | 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 | 2.04E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411752
(CHEMBL271971)Show SMILES CCC1C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(CO)c(Cl)c3)CC2)C(=O)O1 Show InChI InChI=1S/C24H35ClN2O4/c1-2-19-14-23(24(29)31-19)27-11-5-17(6-12-27)15-26-9-7-20(8-10-26)30-21-4-3-18(16-28)22(25)13-21/h3-4,13,17,19-20,23,28H,2,5-12,14-16H2,1H3/t19?,23-/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 | 2.82E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411746
(CHEMBL271405)Show SMILES OCc1ccc(OC2CCN(CC3CCN(CC3)[C@@H](Cc3ccccn3)C(O)=O)CC2)cc1Cl Show InChI InChI=1S/C26H34ClN3O4/c27-24-16-23(5-4-20(24)18-31)34-22-8-11-29(12-9-22)17-19-6-13-30(14-7-19)25(26(32)33)15-21-3-1-2-10-28-21/h1-5,10,16,19,22,25,31H,6-9,11-15,17-18H2,(H,32,33)/t25-/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 | 3.31E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411745
(CHEMBL411448)Show SMILES Cc1ncc(cc1C(O)=O)N1CCC(CN2CCC(CC2)Oc2ccc(CO)c(Cl)c2)CC1 Show InChI InChI=1S/C25H32ClN3O4/c1-17-23(25(31)32)12-20(14-27-17)29-10-4-18(5-11-29)15-28-8-6-21(7-9-28)33-22-3-2-19(16-30)24(26)13-22/h2-3,12-14,18,21,30H,4-11,15-16H2,1H3,(H,31,32) | 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 | 3.72E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411740
(CHEMBL272441)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C31H34N2O5/c1-37-27-12-6-7-13-28(27)38-26-11-5-2-8-23(26)22-32-18-14-31(15-19-32)16-20-33(21-17-31)29(34)24-9-3-4-10-25(24)30(35)36/h2-13H,14-22H2,1H3,(H,35,36) | 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 | 4.37E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411744
(CHEMBL406028)Show SMILES OCc1ccc(OC2CCN(CC3CCN(CC(O)=O)CC3)CC2)cc1Cl Show InChI InChI=1S/C20H29ClN2O4/c21-19-11-18(2-1-16(19)14-24)27-17-5-9-22(10-6-17)12-15-3-7-23(8-4-15)13-20(25)26/h1-2,11,15,17,24H,3-10,12-14H2,(H,25,26) | 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 | 6.46E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411751
(CHEMBL271998)Show SMILES OCc1ccc(OC2CCN(CC3CCN(CC3)c3cccc(n3)C(O)=O)CC2)cc1Cl Show InChI InChI=1S/C24H30ClN3O4/c25-21-14-20(5-4-18(21)16-29)32-19-8-10-27(11-9-19)15-17-6-12-28(13-7-17)23-3-1-2-22(26-23)24(30)31/h1-5,14,17,19,29H,6-13,15-16H2,(H,30,31) | 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 | 6.61E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411743
(CHEMBL429581)Show SMILES CS(=O)(=O)c1ccc(CC(N2CCC(CN3CCC(CC3)Oc3ccc(CO)c(Cl)c3)CC2)C(O)=O)cc1 Show InChI InChI=1S/C28H37ClN2O6S/c1-38(35,36)25-6-2-20(3-7-25)16-27(28(33)34)31-14-8-21(9-15-31)18-30-12-10-23(11-13-30)37-24-5-4-22(19-32)26(29)17-24/h2-7,17,21,23,27,32H,8-16,18-19H2,1H3,(H,33,34) | 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 | 8.51E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411742
(CHEMBL272242)Show SMILES OCc1ccc(OC2CCN(CC3CCN(CC3)C(=O)c3ccccc3C(O)=O)CC2)cc1Cl Show InChI InChI=1S/C26H31ClN2O5/c27-24-15-21(6-5-19(24)17-30)34-20-9-11-28(12-10-20)16-18-7-13-29(14-8-18)25(31)22-3-1-2-4-23(22)26(32)33/h1-6,15,18,20,30H,7-14,16-17H2,(H,32,33) | 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 | 9.77E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411741
(CHEMBL429763)Show SMILES Cc1ccc(C(O)=O)c(c1)C(=O)N1CCC(CN2CCC(CC2)Oc2ccc(CO)c(Cl)c2)CC1 Show InChI InChI=1S/C27H33ClN2O5/c1-18-2-5-23(27(33)34)24(14-18)26(32)30-12-6-19(7-13-30)16-29-10-8-21(9-11-29)35-22-4-3-20(17-31)25(28)15-22/h2-5,14-15,19,21,31H,6-13,16-17H2,1H3,(H,33,34) | 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 | 1.00E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411753
(CHEMBL429924)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccnc(N)c1 Show InChI InChI=1S/C29H34N4O3/c1-35-25-8-4-5-9-26(25)36-24-7-3-2-6-23(24)21-32-16-11-29(12-17-32)13-18-33(19-14-29)28(34)22-10-15-31-27(30)20-22/h2-10,15,20H,11-14,16-19,21H2,1H3,(H2,30,31) | 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 | 1.58E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411739
(CHEMBL271766)Show InChI InChI=1S/C21H30ClN3O2/c22-21-14-20(3-2-18(21)16-26)27-19-6-12-25(13-7-19)15-17-4-10-24(11-5-17)9-1-8-23/h2-3,14,17,19,26H,1,4-7,9-13,15-16H2 | 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 | 2.51E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411754
(CHEMBL410862)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C31H34N6O3/c1-39-27-12-6-7-13-28(27)40-26-11-5-2-8-23(26)22-36-18-14-31(15-19-36)16-20-37(21-17-31)30(38)25-10-4-3-9-24(25)29-32-34-35-33-29/h2-13H,14-22H2,1H3,(H,32,33,34,35) | 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 | 5.13E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411750
(CHEMBL270116)Show SMILES OCc1ccc(OC2CCN(CC3CCN(CC3)c3cccc(c3)C(O)=O)CC2)cc1Cl Show InChI InChI=1S/C25H31ClN2O4/c26-24-15-23(5-4-20(24)17-29)32-22-8-10-27(11-9-22)16-18-6-12-28(13-7-18)21-3-1-2-19(14-21)25(30)31/h1-5,14-15,18,22,29H,6-13,16-17H2,(H,30,31) | 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 | 5.13E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411748
(CHEMBL409449)Show SMILES OCc1ccc(OC2CCN(CC3CCN(CC3)c3ccccc3C(O)=O)CC2)cc1Cl Show InChI InChI=1S/C25H31ClN2O4/c26-23-15-21(6-5-19(23)17-29)32-20-9-11-27(12-10-20)16-18-7-13-28(14-8-18)24-4-2-1-3-22(24)25(30)31/h1-6,15,18,20,29H,7-14,16-17H2,(H,30,31) | 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 | 6.46E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411738
(CHEMBL272842)Show SMILES OCc1ccc(OC2CCN(CC3CCN(CC3)[C@@H](Cc3ccccc3)C(O)=O)CC2)cc1Cl Show InChI InChI=1S/C27H35ClN2O4/c28-25-17-24(7-6-22(25)19-31)34-23-10-12-29(13-11-23)18-21-8-14-30(15-9-21)26(27(32)33)16-20-4-2-1-3-5-20/h1-7,17,21,23,26,31H,8-16,18-19H2,(H,32,33)/t26-/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 | 7.59E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50411755
(CHEMBL408483)Show SMILES COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(CC2)C(=O)c1cc(Cl)c(Cl)cc1C(O)=O Show InChI InChI=1S/C31H32Cl2N2O5/c1-39-27-8-4-5-9-28(27)40-26-7-3-2-6-21(26)20-34-14-10-31(11-15-34)12-16-35(17-13-31)29(36)22-18-24(32)25(33)19-23(22)30(37)38/h2-9,18-19H,10-17,20H2,1H3,(H,37,38) | 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 | 9.55E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method |
J Med Chem 51: 1162-78 (2008)
Article DOI: 10.1021/jm070543k
BindingDB Entry DOI: 10.7270/Q2C24XMG |
More data for this
Ligand-Target Pair | |
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