Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50033595 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)) | BDBM50347943
(CHEMBL1800770)Show SMILES Cc1ccc(Nc2c(nc3CN(CCn23)C(=O)C(C)(C)N)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H26FN5O/c1-15-4-10-18(11-5-15)26-21-20(16-6-8-17(24)9-7-16)27-19-14-28(12-13-29(19)21)22(30)23(2,3)25/h4-11,26H,12-14,25H2,1-3H3 | 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 | 1.50E+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 expressed in CHO cells by Q-patch assay |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50347944
(CHEMBL1800772)Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H23ClFN5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-7-16(24)8-4-14)20(29)26-17-9-5-15(23)6-10-17/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 | 2.30E+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 expressed in CHO cells by Q-patch assay |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50347945
(CHEMBL1800774)Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/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
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80E+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 expressed in CHO cells by Q-patch assay |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50347947
(CHEMBL1800776)Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22ClF2N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(24)6-4-13)20(30)27-15-7-8-16(23)17(25)11-15/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
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 expressed in CHO cells by Q-patch assay |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
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 expressed in CHO cells by Q-patch assay |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50347941
(CHEMBL1800768)Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1cccc(F)c1 Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-10-11-29-18(13-28)27-19(14-4-3-5-16(24)12-14)20(29)26-17-8-6-15(23)7-9-17/h3-9,12,26H,10-11,13,25H2,1-2H3 | 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 | 5.70E+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 expressed in CHO cells by Q-patch assay |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >8.90E+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 CYP 3A4 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50347945
(CHEMBL1800774)Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >8.90E+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 CYP 2D6 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >8.90E+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 CYP 2D6 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50347945
(CHEMBL1800774)Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3 | 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 | >8.90E+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 CYP 3A4 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >8.90E+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 CYP 2C19 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50347945
(CHEMBL1800774)Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3 | 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 | >8.90E+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 CYP 2C19 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50347945
(CHEMBL1800774)Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3 | 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 | >8.90E+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 CYP 1A2 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >8.90E+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 CYP 1A2 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >8.90E+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 CYP 2C9 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50347945
(CHEMBL1800774)Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3 | 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 | >8.90E+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 CYP 2C9 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50347948
(CHEMBL601821 | GNF-PF-5069)Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+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 CYP 2D6 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50347948
(CHEMBL601821 | GNF-PF-5069)Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2 | 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 | >1.00E+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 CYP 2C9 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50347948
(CHEMBL601821 | GNF-PF-5069)Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2 | 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 | >1.00E+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 CYP 3A4 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50347948
(CHEMBL601821 | GNF-PF-5069)Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2 | 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 | >1.00E+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 CYP 1A2 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50347948
(CHEMBL601821 | GNF-PF-5069)Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2 | 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 | >1.00E+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 CYP 2C19 |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50347942
(CHEMBL1800769)Show SMILES Cc1ccc(Nc2c(nc3CN(CCn23)C(=O)CN)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H22FN5O/c1-14-2-8-17(9-3-14)24-21-20(15-4-6-16(22)7-5-15)25-18-13-26(19(28)12-23)10-11-27(18)21/h2-9,24H,10-13,23H2,1H3 | 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 | 1.11E+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 expressed in CHO cells by Q-patch assay |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50347948
(CHEMBL601821 | GNF-PF-5069)Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1 Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2 | 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 | 1.90E+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 expressed in CHO cells by Q-patch assay |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50347946
(CHEMBL1800775)Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)c(F)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H18ClF2N5O/c21-15-6-5-14(9-16(15)23)25-20-19(12-1-3-13(22)4-2-12)26-17-11-27(18(29)10-24)7-8-28(17)20/h1-6,9,25H,7-8,10-11,24H2 | 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 | 2.10E+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 expressed in CHO cells by Q-patch assay |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50347940
(CHEMBL1800831)Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1cccc(F)c1 Show InChI InChI=1S/C20H19F2N5O/c21-14-4-6-16(7-5-14)24-20-19(13-2-1-3-15(22)10-13)25-17-12-26(18(28)11-23)8-9-27(17)20/h1-7,10,24H,8-9,11-12,23H2 | 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 | >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 expressed in CHO cells by Q-patch assay |
J Med Chem 54: 5116-30 (2011)
Article DOI: 10.1021/jm2003359
BindingDB Entry DOI: 10.7270/Q2FX79SN |
More data for this
Ligand-Target Pair | |
Search and Browse
