Found 39 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)) | BDBM50322852
(CHEMBL1210552)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-9-3-8-31-11-16-10-21(16,12-31)15-4-6-17(7-5-15)34(22,23,24,25)26/h4-7,13,16H,3,8-12H2,1-2H3 | 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 | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50322852
(CHEMBL1210552)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-9-3-8-31-11-16-10-21(16,12-31)15-4-6-17(7-5-15)34(22,23,24,25)26/h4-7,13,16H,3,8-12H2,1-2H3 | 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 | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50322852
(CHEMBL1210552)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-9-3-8-31-11-16-10-21(16,12-31)15-4-6-17(7-5-15)34(22,23,24,25)26/h4-7,13,16H,3,8-12H2,1-2H3 | 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 | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50322854
(CHEMBL1210614)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-8-4-7-31-11-16-10-21(16,12-31)15-5-3-6-17(9-15)34(22,23,24,25)26/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3 | 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 | 999 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50312271
((1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxazol-5-y...)Show SMILES Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r| Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-9-3-8-30-11-17-10-21(17,12-30)15-4-6-16(7-5-15)22(23,24)25/h4-7,13,17H,3,8-12H2,1-2H3/t17-,21+/m0/s1 | 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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50322854
(CHEMBL1210614)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-8-4-7-31-11-16-10-21(16,12-31)15-5-3-6-17(9-15)34(22,23,24,25)26/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3 | 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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50322854
(CHEMBL1210614)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-8-4-7-31-11-16-10-21(16,12-31)15-5-3-6-17(9-15)34(22,23,24,25)26/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3 | 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 | 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50322854
(CHEMBL1210614)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-8-4-7-31-11-16-10-21(16,12-31)15-5-3-6-17(9-15)34(22,23,24,25)26/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3 | PDB
UniProtKB/SwissProt
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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50322854
(CHEMBL1210614)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-8-4-7-31-11-16-10-21(16,12-31)15-5-3-6-17(9-15)34(22,23,24,25)26/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3 | PDB
UniProtKB/SwissProt
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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50322853
((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-8-4-7-30-11-17-10-21(17,12-30)15-5-3-6-16(9-15)22(23,24)25/h3,5-6,9,13,17H,4,7-8,10-12H2,1-2H3 | 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 | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50322854
(CHEMBL1210614)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-8-4-7-31-11-16-10-21(16,12-31)15-5-3-6-17(9-15)34(22,23,24,25)26/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3 | 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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50322854
(CHEMBL1210614)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-8-4-7-31-11-16-10-21(16,12-31)15-5-3-6-17(9-15)34(22,23,24,25)26/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3 | 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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50322854
(CHEMBL1210614)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-8-4-7-31-11-16-10-21(16,12-31)15-5-3-6-17(9-15)34(22,23,24,25)26/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3 | 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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50322854
(CHEMBL1210614)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-8-4-7-31-11-16-10-21(16,12-31)15-5-3-6-17(9-15)34(22,23,24,25)26/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50322853
((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-8-4-7-30-11-17-10-21(17,12-30)15-5-3-6-16(9-15)22(23,24)25/h3,5-6,9,13,17H,4,7-8,10-12H2,1-2H3 | 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 | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50312271
((1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxazol-5-y...)Show SMILES Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r| Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-9-3-8-30-11-17-10-21(17,12-30)15-4-6-16(7-5-15)22(23,24)25/h4-7,13,17H,3,8-12H2,1-2H3/t17-,21+/m0/s1 | 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 | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50322852
(CHEMBL1210552)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-9-3-8-31-11-16-10-21(16,12-31)15-4-6-17(7-5-15)34(22,23,24,25)26/h4-7,13,16H,3,8-12H2,1-2H3 | 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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50322852
(CHEMBL1210552)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-9-3-8-31-11-16-10-21(16,12-31)15-4-6-17(7-5-15)34(22,23,24,25)26/h4-7,13,16H,3,8-12H2,1-2H3 | 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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50322852
(CHEMBL1210552)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-9-3-8-31-11-16-10-21(16,12-31)15-4-6-17(7-5-15)34(22,23,24,25)26/h4-7,13,16H,3,8-12H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50322854
(CHEMBL1210614)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-8-4-7-31-11-16-10-21(16,12-31)15-5-3-6-17(9-15)34(22,23,24,25)26/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50322852
(CHEMBL1210552)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-9-3-8-31-11-16-10-21(16,12-31)15-4-6-17(7-5-15)34(22,23,24,25)26/h4-7,13,16H,3,8-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50322854
(CHEMBL1210614)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-8-4-7-31-11-16-10-21(16,12-31)15-5-3-6-17(9-15)34(22,23,24,25)26/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322853
((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-8-4-7-30-11-17-10-21(17,12-30)15-5-3-6-16(9-15)22(23,24)25/h3,5-6,9,13,17H,4,7-8,10-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using 7-benzyloxyquinoline as substrate |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322853
((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-8-4-7-30-11-17-10-21(17,12-30)15-5-3-6-16(9-15)22(23,24)25/h3,5-6,9,13,17H,4,7-8,10-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using diethoxyfluorescein as substrate |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50312271
((1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxazol-5-y...)Show SMILES Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r| Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-9-3-8-30-11-17-10-21(17,12-30)15-4-6-16(7-5-15)22(23,24)25/h4-7,13,17H,3,8-12H2,1-2H3/t17-,21+/m0/s1 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50322854
(CHEMBL1210614)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-8-4-7-31-11-16-10-21(16,12-31)15-5-3-6-17(9-15)34(22,23,24,25)26/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322852
(CHEMBL1210552)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-9-3-8-31-11-16-10-21(16,12-31)15-4-6-17(7-5-15)34(22,23,24,25)26/h4-7,13,16H,3,8-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using 7-benzyloxyquinoline as substrate |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50312271
((1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxazol-5-y...)Show SMILES Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r| Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-9-3-8-30-11-17-10-21(17,12-30)15-4-6-16(7-5-15)22(23,24)25/h4-7,13,17H,3,8-12H2,1-2H3/t17-,21+/m0/s1 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50322852
(CHEMBL1210552)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-9-3-8-31-11-16-10-21(16,12-31)15-4-6-17(7-5-15)34(22,23,24,25)26/h4-7,13,16H,3,8-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322852
(CHEMBL1210552)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-9-3-8-31-11-16-10-21(16,12-31)15-4-6-17(7-5-15)34(22,23,24,25)26/h4-7,13,16H,3,8-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using diethoxyfluorescein as substrate |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50322853
((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-8-4-7-30-11-17-10-21(17,12-30)15-5-3-6-16(9-15)22(23,24)25/h3,5-6,9,13,17H,4,7-8,10-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50322853
((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-8-4-7-30-11-17-10-21(17,12-30)15-5-3-6-16(9-15)22(23,24)25/h3,5-6,9,13,17H,4,7-8,10-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50322852
(CHEMBL1210552)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-9-3-8-31-11-16-10-21(16,12-31)15-4-6-17(7-5-15)34(22,23,24,25)26/h4-7,13,16H,3,8-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50312271
((1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxazol-5-y...)Show SMILES Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r| Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-9-3-8-30-11-17-10-21(17,12-30)15-4-6-16(7-5-15)22(23,24)25/h4-7,13,17H,3,8-12H2,1-2H3/t17-,21+/m0/s1 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using 7-benzyloxyquinoline as substrate |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322854
(CHEMBL1210614)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-8-4-7-31-11-16-10-21(16,12-31)15-5-3-6-17(9-15)34(22,23,24,25)26/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using diethoxyfluorescein as substrate |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50312271
((1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxazol-5-y...)Show SMILES Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r| Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-9-3-8-30-11-17-10-21(17,12-30)15-4-6-16(7-5-15)22(23,24)25/h4-7,13,17H,3,8-12H2,1-2H3/t17-,21+/m0/s1 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50322852
(CHEMBL1210552)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-9-3-8-31-11-16-10-21(16,12-31)15-4-6-17(7-5-15)34(22,23,24,25)26/h4-7,13,16H,3,8-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322854
(CHEMBL1210614)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C Show InChI InChI=1S/C21H24F5N5OS2/c1-14-18(32-13-27-14)19-28-29-20(30(19)2)33-8-4-7-31-11-16-10-21(16,12-31)15-5-3-6-17(9-15)34(22,23,24,25)26/h3,5-6,9,13,16H,4,7-8,10-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using 7-benzyloxyquinoline as substrate |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50322853
((1R,5S/1S,5R)-3-(3-{[4-Methyl-5-(4-methyl-1,3-oxaz...)Show SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C Show InChI InChI=1S/C22H24F3N5OS/c1-14-18(31-13-26-14)19-27-28-20(29(19)2)32-8-4-7-30-11-17-10-21(17,12-30)15-5-3-6-16(9-15)22(23,24)25/h3,5-6,9,13,17H,4,7-8,10-12H2,1-2H3 | 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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 4566-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.018
BindingDB Entry DOI: 10.7270/Q29G5N00 |
More data for this
Ligand-Target Pair | |
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