Found 17 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)) | BDBM50352062
(CHEMBL1824045)Show SMILES O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)-c4ccco4)CC3)nc2N1 Show InChI InChI=1S/C27H29N5O5/c33-25-16-36-24-6-4-20(29-27(24)30-25)15-28-19-7-9-31(10-8-19)11-12-32-21-14-18(22-2-1-13-35-22)3-5-23(21)37-17-26(32)34/h1-6,13-14,19,28H,7-12,15-17H2,(H,29,30,33) | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352063
(CHEMBL1824039)Show SMILES FC(F)(F)Oc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H26F3N5O5/c25-24(26,27)37-17-2-4-19-18(11-17)32(22(34)14-36-19)10-9-31-7-5-15(6-8-31)28-12-16-1-3-20-23(29-16)30-21(33)13-35-20/h1-4,11,15,28H,5-10,12-14H2,(H,29,30,33) | 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 | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352064
(CHEMBL1824031)Show SMILES Brc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C23H26BrN5O4/c24-15-1-3-19-18(11-15)29(22(31)14-33-19)10-9-28-7-5-16(6-8-28)25-12-17-2-4-20-23(26-17)27-21(30)13-32-20/h1-4,11,16,25H,5-10,12-14H2,(H,26,27,30) | 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 | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352065
(CHEMBL1824042)Show SMILES Clc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C23H26ClN5O4/c24-15-1-3-19-18(11-15)29(22(31)14-33-19)10-9-28-7-5-16(6-8-28)25-12-17-2-4-20-23(26-17)27-21(30)13-32-20/h1-4,11,16,25H,5-10,12-14H2,(H,26,27,30) | 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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352066
(CHEMBL1824043)Show SMILES Fc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C23H26FN5O4/c24-15-1-3-19-18(11-15)29(22(31)14-33-19)10-9-28-7-5-16(6-8-28)25-12-17-2-4-20-23(26-17)27-21(30)13-32-20/h1-4,11,16,25H,5-10,12-14H2,(H,26,27,30) | 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 | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352067
(CHEMBL1824044)Show SMILES COc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H29N5O5/c1-32-18-3-5-20-19(12-18)29(23(31)15-34-20)11-10-28-8-6-16(7-9-28)25-13-17-2-4-21-24(26-17)27-22(30)14-33-21/h2-5,12,16,25H,6-11,13-15H2,1H3,(H,26,27,30) | 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 | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352068
(CHEMBL1824034)Show SMILES COC(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C25H29N5O6/c1-34-25(33)16-2-4-20-19(12-16)30(23(32)15-36-20)11-10-29-8-6-17(7-9-29)26-13-18-3-5-21-24(27-18)28-22(31)14-35-21/h2-5,12,17,26H,6-11,13-15H2,1H3,(H,27,28,31) | 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 | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352069
(CHEMBL1824037)Show SMILES [O-][N+](=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C23H26N6O6/c30-21-13-34-20-3-1-16(25-23(20)26-21)12-24-15-5-7-27(8-6-15)9-10-28-18-11-17(29(32)33)2-4-19(18)35-14-22(28)31/h1-4,11,15,24H,5-10,12-14H2,(H,25,26,30) | 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 | 2.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352077
(CHEMBL1824041)Show SMILES O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)C#N)CC3)nc2N1 Show InChI InChI=1S/C24H26N6O4/c25-12-16-1-3-20-19(11-16)30(23(32)15-34-20)10-9-29-7-5-17(6-8-29)26-13-18-2-4-21-24(27-18)28-22(31)14-33-21/h1-4,11,17,26H,5-10,13-15H2,(H,27,28,31) | 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 | >4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352070
(CHEMBL1824040)Show SMILES CC(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C25H29N5O5/c1-16(31)17-2-4-21-20(12-17)30(24(33)15-35-21)11-10-29-8-6-18(7-9-29)26-13-19-3-5-22-25(27-19)28-23(32)14-34-22/h2-5,12,18,26H,6-11,13-15H2,1H3,(H,27,28,32) | 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 | 4.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352071
(CHEMBL1824036)Show SMILES CS(=O)(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H29N5O6S/c1-36(32,33)18-3-5-20-19(12-18)29(23(31)15-35-20)11-10-28-8-6-16(7-9-28)25-13-17-2-4-21-24(26-17)27-22(30)14-34-21/h2-5,12,16,25H,6-11,13-15H2,1H3,(H,26,27,30) | 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 | 5.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352073
(CHEMBL1824029)Show SMILES CC(O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C25H31N5O5/c1-16(31)17-2-4-21-20(12-17)30(24(33)15-35-21)11-10-29-8-6-18(7-9-29)26-13-19-3-5-22-25(27-19)28-23(32)14-34-22/h2-5,12,16,18,26,31H,6-11,13-15H2,1H3,(H,27,28,32) | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352076
(CHEMBL1824033)Show SMILES OC(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H27N5O6/c30-21-13-34-20-4-2-17(26-23(20)27-21)12-25-16-5-7-28(8-6-16)9-10-29-18-11-15(24(32)33)1-3-19(18)35-14-22(29)31/h1-4,11,16,25H,5-10,12-14H2,(H,32,33)(H,26,27,30) | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352075
(CHEMBL1824032)Show SMILES FC(F)(F)C(=O)Nc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C25H27F3N6O5/c26-25(27,28)24(37)31-16-1-3-19-18(11-16)34(22(36)14-39-19)10-9-33-7-5-15(6-8-33)29-12-17-2-4-20-23(30-17)32-21(35)13-38-20/h1-4,11,15,29H,5-10,12-14H2,(H,31,37)(H,30,32,35) | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352072
(CHEMBL1824028)Show SMILES O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)-n4cnnn4)CC3)nc2N1 Show InChI InChI=1S/C24H27N9O4/c34-22-13-36-21-3-1-17(27-24(21)28-22)12-25-16-5-7-31(8-6-16)9-10-32-19-11-18(33-15-26-29-30-33)2-4-20(19)37-14-23(32)35/h1-4,11,15-16,25H,5-10,12-14H2,(H,27,28,34) | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352074
(CHEMBL1824030)Show SMILES Oc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C23H27N5O5/c29-17-2-4-19-18(11-17)28(22(31)14-33-19)10-9-27-7-5-15(6-8-27)24-12-16-1-3-20-23(25-16)26-21(30)13-32-20/h1-4,11,15,24,29H,5-10,12-14H2,(H,25,26,30) | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50352078
(CHEMBL1824038)Show SMILES CCS(=O)(=O)c1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C25H31N5O6S/c1-2-37(33,34)19-4-6-21-20(13-19)30(24(32)16-36-21)12-11-29-9-7-17(8-10-29)26-14-18-3-5-22-25(27-18)28-23(31)15-35-22/h3-6,13,17,26H,2,7-12,14-16H2,1H3,(H,27,28,31) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiological assay |
Bioorg Med Chem Lett 21: 5432-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.126
BindingDB Entry DOI: 10.7270/Q2JM2B0P |
More data for this
Ligand-Target Pair | |
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