Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50040051 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)) | BDBM50347939
(CHEMBL1800137)Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-5-15(23)6-4-14)20(29)26-17-9-7-16(24)8-10-17/h3-10,26H,11-13,25H2,1-2H3 | 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 | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 4244-73 (2012)
Article DOI: 10.1021/jm300041e
BindingDB Entry DOI: 10.7270/Q21V5G1P |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50388532
(CHEMBL2058833)Show SMILES CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN Show InChI InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3 | 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 | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 55: 4244-73 (2012)
Article DOI: 10.1021/jm300041e
BindingDB Entry DOI: 10.7270/Q21V5G1P |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50388532
(CHEMBL2058833)Show SMILES CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN Show InChI InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3 | 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 | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 55: 4244-73 (2012)
Article DOI: 10.1021/jm300041e
BindingDB Entry DOI: 10.7270/Q21V5G1P |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50388532
(CHEMBL2058833)Show SMILES CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN Show InChI InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 55: 4244-73 (2012)
Article DOI: 10.1021/jm300041e
BindingDB Entry DOI: 10.7270/Q21V5G1P |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50388532
(CHEMBL2058833)Show SMILES CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN Show InChI InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3 | 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 | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 55: 4244-73 (2012)
Article DOI: 10.1021/jm300041e
BindingDB Entry DOI: 10.7270/Q21V5G1P |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50388532
(CHEMBL2058833)Show SMILES CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN Show InChI InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3 | 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 | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 55: 4244-73 (2012)
Article DOI: 10.1021/jm300041e
BindingDB Entry DOI: 10.7270/Q21V5G1P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50388532
(CHEMBL2058833)Show SMILES CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN Show InChI InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 4244-73 (2012)
Article DOI: 10.1021/jm300041e
BindingDB Entry DOI: 10.7270/Q21V5G1P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50388536
(CHEMBL2058831)Show SMILES CC(C)[C@H]1N(CCn2c(Nc3ccc(F)c(Cl)c3)c(nc12)-c1ccc(F)cc1)C(=O)CN |r| Show InChI InChI=1S/C23H24ClF2N5O/c1-13(2)21-23-29-20(14-3-5-15(25)6-4-14)22(28-16-7-8-18(26)17(24)11-16)31(23)10-9-30(21)19(32)12-27/h3-8,11,13,21,28H,9-10,12,27H2,1-2H3/t21-/m1/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 | 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 4244-73 (2012)
Article DOI: 10.1021/jm300041e
BindingDB Entry DOI: 10.7270/Q21V5G1P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50388534
(CHEMBL2058837)Show SMILES CC(C)(N)C(=O)N1CCn2c(Nc3ccc(F)cc3)c(nc2C1(C)C)-c1ccc(F)cc1 Show InChI InChI=1S/C24H27F2N5O/c1-23(2,27)22(32)31-14-13-30-20(28-18-11-9-17(26)10-12-18)19(29-21(30)24(31,3)4)15-5-7-16(25)8-6-15/h5-12,28H,13-14,27H2,1-4H3 | 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 | 2.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 4244-73 (2012)
Article DOI: 10.1021/jm300041e
BindingDB Entry DOI: 10.7270/Q21V5G1P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50388533
(CHEMBL2058838)Show SMILES Cc1ccc(Nc2c(nc3n2CCN(C(=O)C(C)(C)N)C3(C)C)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H30FN5O/c1-16-6-12-19(13-7-16)28-21-20(17-8-10-18(26)11-9-17)29-22-25(4,5)31(15-14-30(21)22)23(32)24(2,3)27/h6-13,28H,14-15,27H2,1-5H3 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 4244-73 (2012)
Article DOI: 10.1021/jm300041e
BindingDB Entry DOI: 10.7270/Q21V5G1P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50388531
(CHEMBL2058843)Show SMILES CC1(C)NC(=O)Cn2c(Nc3ccc(F)c(Cl)c3)c(nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C20H17ClF2N4O/c1-20(2)19-25-17(11-3-5-12(22)6-4-11)18(27(19)10-16(28)26-20)24-13-7-8-15(23)14(21)9-13/h3-9,24H,10H2,1-2H3,(H,26,28) | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 4244-73 (2012)
Article DOI: 10.1021/jm300041e
BindingDB Entry DOI: 10.7270/Q21V5G1P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50388535
(CHEMBL2057225)Show SMILES CC1(C)N(CCn2c(Nc3ccc(F)c(F)c3)c(nc12)-c1ccc(F)cc1)C(=O)CN Show InChI InChI=1S/C22H22F3N5O/c1-22(2)21-28-19(13-3-5-14(23)6-4-13)20(27-15-7-8-16(24)17(25)11-15)29(21)9-10-30(22)18(31)12-26/h3-8,11,27H,9-10,12,26H2,1-2H3 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in CHO cells by patch clamp assay |
J Med Chem 55: 4244-73 (2012)
Article DOI: 10.1021/jm300041e
BindingDB Entry DOI: 10.7270/Q21V5G1P |
More data for this
Ligand-Target Pair | |
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