Found 32 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 A member 5
(Homo sapiens (Human)) | BDBM50239227
(CHEMBL4094440 | US10214511, Example 7 | US10676460...)Show SMILES NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C25H20N6O2S/c26-34(32,33)20-13-18(14-27-16-20)24-30-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(31-24)29-15-19-9-4-5-12-28-19/h1-14,16H,15H2,(H2,26,32,33)(H,29,30,31) | PDB
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PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Kv1.5 expressed in mouse L929 cells by patch clamp assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50239231
(CHEMBL4099807)Show SMILES C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cccnc1)c1ccccn1 Show InChI InChI=1S/C25H19N5/c1-2-8-18(9-3-1)21-12-6-13-22-23(21)25(28-17-20-11-4-5-15-27-20)30-24(29-22)19-10-7-14-26-16-19/h1-16H,17H2,(H,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Kv1.5 expressed in mouse L929 cells by patch clamp assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50239228
(CHEMBL4082779)Show SMILES O=S(=O)(N1CCOCC1)c1cccc(Nc2nc(nc3cccc(-c4ccccc4)c23)-c2cncnc2)c1 Show InChI InChI=1S/C28H24N6O3S/c35-38(36,34-12-14-37-15-13-34)23-9-4-8-22(16-23)31-28-26-24(20-6-2-1-3-7-20)10-5-11-25(26)32-27(33-28)21-17-29-19-30-18-21/h1-11,16-19H,12-15H2,(H,31,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Kv1.5 expressed in mouse L929 cells by patch clamp assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50239229
(CHEMBL4097255 | US10676460, Example 1)Show SMILES C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1 Show InChI InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30) | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Kv1.5 expressed in mouse L929 cells by patch clamp assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50239237
(CHEMBL4072025)Show SMILES NC(=O)c1ccc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C26H20N6O/c27-24(33)22-13-12-18(15-29-22)25-31-21-11-6-10-20(17-7-2-1-3-8-17)23(21)26(32-25)30-16-19-9-4-5-14-28-19/h1-15H,16H2,(H2,27,33)(H,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Kv1.5 expressed in mouse L929 cells by patch clamp assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50239236
(CHEMBL4061436)Show SMILES COc1ncc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C25H20N6O/c1-32-25-28-14-18(15-29-25)23-30-21-12-7-11-20(17-8-3-2-4-9-17)22(21)24(31-23)27-16-19-10-5-6-13-26-19/h2-15H,16H2,1H3,(H,27,30,31) | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Kv1.5 expressed in mouse L929 cells by patch clamp assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50239233
(CHEMBL4068539)Show SMILES CC(=O)Nc1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C27H22N6O/c1-18(34)31-22-14-20(15-28-16-22)26-32-24-12-7-11-23(19-8-3-2-4-9-19)25(24)27(33-26)30-17-21-10-5-6-13-29-21/h2-16H,17H2,1H3,(H,31,34)(H,30,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Kv1.5 expressed in mouse L929 cells by patch clamp assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50239232
(CHEMBL4081790)Show SMILES Oc1ccc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C25H19N5O/c31-22-13-12-18(15-27-22)24-29-21-11-6-10-20(17-7-2-1-3-8-17)23(21)25(30-24)28-16-19-9-4-5-14-26-19/h1-15H,16H2,(H,27,31)(H,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Kv1.5 expressed in mouse L929 cells by patch clamp assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50239247
(CHEMBL4084636)Show SMILES Clc1nc(Nc2cccc(c2)S(=O)(=O)N2CCOCC2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C24H21ClN4O3S/c25-24-27-21-11-5-10-20(17-6-2-1-3-7-17)22(21)23(28-24)26-18-8-4-9-19(16-18)33(30,31)29-12-14-32-15-13-29/h1-11,16H,12-15H2,(H,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Kv1.5 expressed in mouse L929 cells by patch clamp assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50239230
(CHEMBL4078271)Show SMILES CN(C)c1ccc(cc1)-c1cccc2nc(nc(NCc3ccccn3)c12)-c1cncnc1 Show InChI InChI=1S/C26H23N7/c1-33(2)21-11-9-18(10-12-21)22-7-5-8-23-24(22)26(30-16-20-6-3-4-13-29-20)32-25(31-23)19-14-27-17-28-15-19/h3-15,17H,16H2,1-2H3,(H,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Kv1.5 expressed in mouse L929 cells by patch clamp assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239232
(CHEMBL4081790)Show SMILES Oc1ccc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C25H19N5O/c31-22-13-12-18(15-27-22)24-29-21-11-6-10-20(17-7-2-1-3-8-17)23(21)25(30-24)28-16-19-9-4-5-14-26-19/h1-15H,16H2,(H,27,31)(H,28,29,30) | 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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239239
(CHEMBL4076097)Show SMILES NS(=O)(=O)Nc1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C25H21N7O2S/c26-35(33,34)32-20-13-18(14-27-15-20)24-30-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(31-24)29-16-19-9-4-5-12-28-19/h1-15,32H,16H2,(H2,26,33,34)(H,29,30,31) | 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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239234
(CHEMBL4096316)Show SMILES NC(=O)c1ccc(cc1)-c1cccc2nc(nc(NCc3ccccn3)c12)-c1cncnc1 Show InChI InChI=1S/C25H19N7O/c26-23(33)17-9-7-16(8-10-17)20-5-3-6-21-22(20)25(30-14-19-4-1-2-11-29-19)32-24(31-21)18-12-27-15-28-13-18/h1-13,15H,14H2,(H2,26,33)(H,30,31,32) | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239227
(CHEMBL4094440 | US10214511, Example 7 | US10676460...)Show SMILES NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C25H20N6O2S/c26-34(32,33)20-13-18(14-27-16-20)24-30-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(31-24)29-15-19-9-4-5-12-28-19/h1-14,16H,15H2,(H2,26,32,33)(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239244
(CHEMBL4071250)Show SMILES NC(=O)Nc1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C26H21N7O/c27-26(34)31-20-13-18(14-28-15-20)24-32-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(33-24)30-16-19-9-4-5-12-29-19/h1-15H,16H2,(H3,27,31,34)(H,30,32,33) | 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 | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239233
(CHEMBL4068539)Show SMILES CC(=O)Nc1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C27H22N6O/c1-18(34)31-22-14-20(15-28-16-22)26-32-24-12-7-11-23(19-8-3-2-4-9-19)25(24)27(33-26)30-17-21-10-5-6-13-29-21/h2-16H,17H2,1H3,(H,31,34)(H,30,32,33) | 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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239237
(CHEMBL4072025)Show SMILES NC(=O)c1ccc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C26H20N6O/c27-24(33)22-13-12-18(15-29-22)25-31-21-11-6-10-20(17-7-2-1-3-8-17)23(21)26(32-25)30-16-19-9-4-5-14-28-19/h1-15H,16H2,(H2,27,33)(H,30,31,32) | 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 | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239238
(CHEMBL4093540)Show SMILES NC(=O)Nc1ccc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C26H21N7O/c27-26(34)32-22-13-12-18(15-29-22)24-31-21-11-6-10-20(17-7-2-1-3-8-17)23(21)25(33-24)30-16-19-9-4-5-14-28-19/h1-15H,16H2,(H,30,31,33)(H3,27,29,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239245
(CHEMBL4067350)Show SMILES FC(F)(F)CNC(=O)c1ccc(cc1)-c1cccc2nc(nc(NCc3ccccn3)c12)-c1cncnc1 Show InChI InChI=1S/C27H20F3N7O/c28-27(29,30)15-35-26(38)18-9-7-17(8-10-18)21-5-3-6-22-23(21)25(34-14-20-4-1-2-11-33-20)37-24(36-22)19-12-31-16-32-13-19/h1-13,16H,14-15H2,(H,35,38)(H,34,36,37) | 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 | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239241
(CHEMBL4104959)Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(nc3cccc(-c4ccccc4)c23)-c2cncnc2)cc1 Show InChI InChI=1S/C26H22N6O2S/c27-35(33,34)21-11-9-18(10-12-21)13-14-30-26-24-22(19-5-2-1-3-6-19)7-4-8-23(24)31-25(32-26)20-15-28-17-29-16-20/h1-12,15-17H,13-14H2,(H2,27,33,34)(H,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by flux assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50239231
(CHEMBL4099807)Show SMILES C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cccnc1)c1ccccn1 Show InChI InChI=1S/C25H19N5/c1-2-8-18(9-3-1)21-12-6-13-22-23(21)25(28-17-20-11-4-5-15-27-20)30-24(29-22)19-10-7-14-26-16-19/h1-16H,17H2,(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50239231
(CHEMBL4099807)Show SMILES C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cccnc1)c1ccccn1 Show InChI InChI=1S/C25H19N5/c1-2-8-18(9-3-1)21-12-6-13-22-23(21)25(28-17-20-11-4-5-15-27-20)30-24(29-22)19-10-7-14-26-16-19/h1-16H,17H2,(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50239231
(CHEMBL4099807)Show SMILES C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cccnc1)c1ccccn1 Show InChI InChI=1S/C25H19N5/c1-2-8-18(9-3-1)21-12-6-13-22-23(21)25(28-17-20-11-4-5-15-27-20)30-24(29-22)19-10-7-14-26-16-19/h1-16H,17H2,(H,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50239231
(CHEMBL4099807)Show SMILES C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cccnc1)c1ccccn1 Show InChI InChI=1S/C25H19N5/c1-2-8-18(9-3-1)21-12-6-13-22-23(21)25(28-17-20-11-4-5-15-27-20)30-24(29-22)19-10-7-14-26-16-19/h1-16H,17H2,(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239231
(CHEMBL4099807)Show SMILES C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cccnc1)c1ccccn1 Show InChI InChI=1S/C25H19N5/c1-2-8-18(9-3-1)21-12-6-13-22-23(21)25(28-17-20-11-4-5-15-27-20)30-24(29-22)19-10-7-14-26-16-19/h1-16H,17H2,(H,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239240
(CHEMBL4102583)Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc3cccc(-c4ccccc4)c23)cc1 Show InChI InChI=1S/C22H19ClN4O2S/c23-22-26-19-8-4-7-18(16-5-2-1-3-6-16)20(19)21(27-22)25-14-13-15-9-11-17(12-10-15)30(24,28)29/h1-12H,13-14H2,(H2,24,28,29)(H,25,26,27) | 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 | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by flux assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239246
(CHEMBL4102183)Show SMILES NS(=O)(=O)c1ncccc1-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C25H20N6O2S/c26-34(32,33)25-20(12-7-15-28-25)23-30-21-13-6-11-19(17-8-2-1-3-9-17)22(21)24(31-23)29-16-18-10-4-5-14-27-18/h1-15H,16H2,(H2,26,32,33)(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by flux assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239236
(CHEMBL4061436)Show SMILES COc1ncc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C25H20N6O/c1-32-25-28-14-18(15-29-25)23-30-21-12-7-11-20(17-8-3-2-4-9-17)22(21)24(31-23)27-16-19-10-5-6-13-26-19/h2-15H,16H2,1H3,(H,27,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239243
(CHEMBL4077920)Show SMILES NS(=O)(=O)c1ccncc1-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C25H20N6O2S/c26-34(32,33)22-12-14-27-16-20(22)24-30-21-11-6-10-19(17-7-2-1-3-8-17)23(21)25(31-24)29-15-18-9-4-5-13-28-18/h1-14,16H,15H2,(H2,26,32,33)(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by flux assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239230
(CHEMBL4078271)Show SMILES CN(C)c1ccc(cc1)-c1cccc2nc(nc(NCc3ccccn3)c12)-c1cncnc1 Show InChI InChI=1S/C26H23N7/c1-33(2)21-11-9-18(10-12-21)22-7-5-8-23-24(22)26(30-16-20-6-3-4-13-29-20)32-25(31-23)19-14-27-17-28-15-19/h3-15,17H,16H2,1-2H3,(H,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by flux assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239235
(CHEMBL4076905)Show SMILES Nc1ncc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C24H19N7/c25-24-28-13-17(14-29-24)22-30-20-11-6-10-19(16-7-2-1-3-8-16)21(20)23(31-22)27-15-18-9-4-5-12-26-18/h1-14H,15H2,(H2,25,28,29)(H,27,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp method |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50239242
(CHEMBL4084304)Show SMILES CC(=O)Nc1ccc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1 Show InChI InChI=1S/C27H22N6O/c1-18(34)31-24-14-13-20(16-29-24)26-32-23-12-7-11-22(19-8-3-2-4-9-19)25(23)27(33-26)30-17-21-10-5-6-15-28-21/h2-16H,17H2,1H3,(H,29,31,34)(H,30,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells by flux assay |
J Med Chem 60: 3795-3803 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01889
BindingDB Entry DOI: 10.7270/Q24J0H85 |
More data for this
Ligand-Target Pair | |
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