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 |
|---|
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50025224
(CHEMBL3330649)Show InChI InChI=1S/C16H13FIN3O4/c17-11-7-9(18)1-2-12(11)20-14-10-8-19-4-3-13(10)25-15(14)16(23)21-24-6-5-22/h1-4,7-8,20,22H,5-6H2,(H,21,23) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50420701
(CHEMBL2087461)Show InChI InChI=1S/C16H13FIN3O3S/c17-12-7-10(18)2-4-13(12)20-14-11(16(23)21-24-6-5-22)3-1-9-8-19-25-15(9)14/h1-4,7-8,20,22H,5-6H2,(H,21,23) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) by HTRF assay |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50025227
(CHEMBL3330651)Show InChI InChI=1S/C16H13F2IN4O3/c17-11-5-9(19)1-2-13(11)21-15-10(16(25)22-26-4-3-24)6-12(18)14-7-20-8-23(14)15/h1-2,5-8,21,24H,3-4H2,(H,22,25) | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50420701
(CHEMBL2087461)Show InChI InChI=1S/C16H13FIN3O3S/c17-12-7-10(18)2-4-13(12)20-14-11(16(23)21-24-6-5-22)3-1-9-8-19-25-15(9)14/h1-4,7-8,20,22H,5-6H2,(H,21,23) | 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 |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50420701
(CHEMBL2087461)Show InChI InChI=1S/C16H13FIN3O3S/c17-12-7-10(18)2-4-13(12)20-14-11(16(23)21-24-6-5-22)3-1-9-8-19-25-15(9)14/h1-4,7-8,20,22H,5-6H2,(H,21,23) | 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 | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50025225
(CHEMBL3330652)Show InChI InChI=1S/C16H14FIN4O3/c17-12-7-10(18)1-2-13(12)20-15-11(16(24)21-25-6-5-23)3-4-22-9-19-8-14(15)22/h1-4,7-9,20,23H,5-6H2,(H,21,24) | 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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50025231
(CHEMBL3330654)Show SMILES C[C@H](O)CONC(=O)c1ncc2cncn2c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C16H15FIN5O3/c1-9(24)7-26-22-16(25)14-15(23-8-19-5-11(23)6-20-14)21-13-3-2-10(18)4-12(13)17/h2-6,8-9,21,24H,7H2,1H3,(H,22,25)/t9-/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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50025228
(CHEMBL3330653)Show InChI InChI=1S/C15H13FIN5O3/c16-11-5-9(17)1-2-12(11)20-14-13(15(24)21-25-4-3-23)19-7-10-6-18-8-22(10)14/h1-2,5-8,20,23H,3-4H2,(H,21,24) | 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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50025226
(RG-7420)Show InChI InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50025225
(CHEMBL3330652)Show InChI InChI=1S/C16H14FIN4O3/c17-12-7-10(18)1-2-13(12)20-15-11(16(24)21-25-6-5-23)3-4-22-9-19-8-14(15)22/h1-4,7-9,20,23H,5-6H2,(H,21,24) | 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 | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50420701
(CHEMBL2087461)Show InChI InChI=1S/C16H13FIN3O3S/c17-12-7-10(18)2-4-13(12)20-14-11(16(23)21-24-6-5-22)3-1-9-8-19-25-15(9)14/h1-4,7-8,20,22H,5-6H2,(H,21,23) | 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 | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using testosterone substrate |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50420701
(CHEMBL2087461)Show InChI InChI=1S/C16H13FIN3O3S/c17-12-7-10(18)2-4-13(12)20-14-11(16(23)21-24-6-5-22)3-1-9-8-19-25-15(9)14/h1-4,7-8,20,22H,5-6H2,(H,21,23) | 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 | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam substrate |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50025226
(RG-7420)Show InChI InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50025224
(CHEMBL3330649)Show InChI InChI=1S/C16H13FIN3O4/c17-11-7-9(18)1-2-12(11)20-14-10-8-19-4-3-13(10)25-15(14)16(23)21-24-6-5-22/h1-4,7-8,20,22H,5-6H2,(H,21,23) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using testosterone substrate |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50025224
(CHEMBL3330649)Show InChI InChI=1S/C16H13FIN3O4/c17-11-7-9(18)1-2-12(11)20-14-10-8-19-4-3-13(10)25-15(14)16(23)21-24-6-5-22/h1-4,7-8,20,22H,5-6H2,(H,21,23) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50025226
(RG-7420)Show InChI InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50025224
(CHEMBL3330649)Show InChI InChI=1S/C16H13FIN3O4/c17-11-7-9(18)1-2-12(11)20-14-10-8-19-4-3-13(10)25-15(14)16(23)21-24-6-5-22/h1-4,7-8,20,22H,5-6H2,(H,21,23) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50025226
(RG-7420)Show InChI InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50025226
(RG-7420)Show InChI InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50025224
(CHEMBL3330649)Show InChI InChI=1S/C16H13FIN3O4/c17-11-7-9(18)1-2-12(11)20-14-10-8-19-4-3-13(10)25-15(14)16(23)21-24-6-5-22/h1-4,7-8,20,22H,5-6H2,(H,21,23) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam substrate |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50025226
(RG-7420)Show InChI InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using testosterone substrate |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50025225
(CHEMBL3330652)Show InChI InChI=1S/C16H14FIN4O3/c17-12-7-10(18)1-2-13(12)20-15-11(16(24)21-25-6-5-23)3-4-22-9-19-8-14(15)22/h1-4,7-9,20,23H,5-6H2,(H,21,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50025225
(CHEMBL3330652)Show InChI InChI=1S/C16H14FIN4O3/c17-12-7-10(18)1-2-13(12)20-15-11(16(24)21-25-6-5-23)3-4-22-9-19-8-14(15)22/h1-4,7-9,20,23H,5-6H2,(H,21,24) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50025224
(CHEMBL3330649)Show InChI InChI=1S/C16H13FIN3O4/c17-11-7-9(18)1-2-12(11)20-14-10-8-19-4-3-13(10)25-15(14)16(23)21-24-6-5-22/h1-4,7-8,20,22H,5-6H2,(H,21,23) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50025226
(RG-7420)Show InChI InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam substrate |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50025224
(CHEMBL3330649)Show InChI InChI=1S/C16H13FIN3O4/c17-11-7-9(18)1-2-12(11)20-14-10-8-19-4-3-13(10)25-15(14)16(23)21-24-6-5-22/h1-4,7-8,20,22H,5-6H2,(H,21,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50025225
(CHEMBL3330652)Show InChI InChI=1S/C16H14FIN4O3/c17-12-7-10(18)1-2-13(12)20-15-11(16(24)21-25-6-5-23)3-4-22-9-19-8-14(15)22/h1-4,7-9,20,23H,5-6H2,(H,21,24) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam substrate |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50420701
(CHEMBL2087461)Show InChI InChI=1S/C16H13FIN3O3S/c17-12-7-10(18)2-4-13(12)20-14-11(16(23)21-24-6-5-22)3-1-9-8-19-25-15(9)14/h1-4,7-8,20,22H,5-6H2,(H,21,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50420701
(CHEMBL2087461)Show InChI InChI=1S/C16H13FIN3O3S/c17-12-7-10(18)2-4-13(12)20-14-11(16(23)21-24-6-5-22)3-1-9-8-19-25-15(9)14/h1-4,7-8,20,22H,5-6H2,(H,21,23) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50025225
(CHEMBL3330652)Show InChI InChI=1S/C16H14FIN4O3/c17-12-7-10(18)1-2-13(12)20-15-11(16(24)21-25-6-5-23)3-4-22-9-19-8-14(15)22/h1-4,7-9,20,23H,5-6H2,(H,21,24) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) using testosterone substrate |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50025232
(CHEMBL3330655)Show SMILES C[C@H](CO)CONC(=O)c1ncc2cncn2c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C17H17FIN5O3/c1-10(7-25)8-27-23-17(26)15-16(24-9-20-5-12(24)6-21-15)22-14-3-2-11(19)4-13(14)18/h2-6,9-10,22,25H,7-8H2,1H3,(H,23,26)/t10-/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 | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch clamp assay |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50025225
(CHEMBL3330652)Show InChI InChI=1S/C16H14FIN4O3/c17-12-7-10(18)1-2-13(12)20-15-11(16(24)21-25-6-5-23)3-4-22-9-19-8-14(15)22/h1-4,7-9,20,23H,5-6H2,(H,21,24) | 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 | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 24: 4714-23 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.008
BindingDB Entry DOI: 10.7270/Q20866WS |
More data for this
Ligand-Target Pair | |
Search and Browse
