Found 71 hits Enz. Inhib. hit(s) with all data for entry = 50002176 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 |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50454647
(CHEMBL4209700)Show InChI InChI=1S/C19H22N4O/c1-2-3-12-21-18-17-15(22-19(20)23-18)10-7-11-16(17)24-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H3,20,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50454641
(CHEMBL4206363)Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50454640
(CHEMBL4218074)Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)8-6-9-15(16)24-12-13-7-4-5-11-20-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50454639
(CHEMBL4208231)Show InChI InChI=1S/C20H24N4O2/c1-3-4-12-22-19-18-15(23-20(21)24-19)9-7-11-17(18)26-13-14-8-5-6-10-16(14)25-2/h5-11H,3-4,12-13H2,1-2H3,(H3,21,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50454646
(CHEMBL4205861)Show InChI InChI=1S/C20H25N5O3/c1-4-5-10-23-19-17-13(24-20(21)25-19)7-6-8-15(17)28-12-14-18(27-3)16(26-2)9-11-22-14/h6-9,11H,4-5,10,12H2,1-3H3,(H3,21,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50454637
(CHEMBL4213155)Show InChI InChI=1S/C21H26N4O3/c1-3-4-10-23-20-19-16(24-21(22)25-20)6-5-7-17(19)28-13-15-9-8-14(12-26)11-18(15)27-2/h5-9,11,26H,3-4,10,12-13H2,1-2H3,(H3,22,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50454637
(CHEMBL4213155)Show InChI InChI=1S/C21H26N4O3/c1-3-4-10-23-20-19-16(24-21(22)25-20)6-5-7-17(19)28-13-15-9-8-14(12-26)11-18(15)27-2/h5-9,11,26H,3-4,10,12-13H2,1-2H3,(H3,22,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50454643
(CHEMBL4218623)Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)24-21(22)25-19)20(27)26(2)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H3,22,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50454647
(CHEMBL4209700)Show InChI InChI=1S/C19H22N4O/c1-2-3-12-21-18-17-15(22-19(20)23-18)10-7-11-16(17)24-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H3,20,21,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50454642
(CHEMBL4213687)Show InChI InChI=1S/C20H23N5O/c1-2-3-12-22-18-17-15(10-7-11-16(17)24-20(21)25-18)19(26)23-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H,23,26)(H3,21,22,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50454641
(CHEMBL4206363)Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50454648
(CHEMBL4210732)Show InChI InChI=1S/C14H19N5O/c1-3-4-8-17-12-11-9(13(20)16-2)6-5-7-10(11)18-14(15)19-12/h5-7H,3-4,8H2,1-2H3,(H,16,20)(H3,15,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50454643
(CHEMBL4218623)Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)24-21(22)25-19)20(27)26(2)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H3,22,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50454646
(CHEMBL4205861)Show InChI InChI=1S/C20H25N5O3/c1-4-5-10-23-19-17-13(24-20(21)25-19)7-6-8-15(17)28-12-14-18(27-3)16(26-2)9-11-22-14/h6-9,11H,4-5,10,12H2,1-3H3,(H3,21,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50454636
(CHEMBL4209289)Show InChI InChI=1S/C16H23N5O/c1-4-5-9-18-14-13-11(15(22)19-10(2)3)7-6-8-12(13)20-16(17)21-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H3,17,18,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50454637
(CHEMBL4213155)Show InChI InChI=1S/C21H26N4O3/c1-3-4-10-23-20-19-16(24-21(22)25-20)6-5-7-17(19)28-13-15-9-8-14(12-26)11-18(15)27-2/h5-9,11,26H,3-4,10,12-13H2,1-2H3,(H3,22,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50454636
(CHEMBL4209289)Show InChI InChI=1S/C16H23N5O/c1-4-5-9-18-14-13-11(15(22)19-10(2)3)7-6-8-12(13)20-16(17)21-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H3,17,18,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50454638
(CHEMBL4207296)Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50454639
(CHEMBL4208231)Show InChI InChI=1S/C20H24N4O2/c1-3-4-12-22-19-18-15(23-20(21)24-19)9-7-11-17(18)26-13-14-8-5-6-10-16(14)25-2/h5-11H,3-4,12-13H2,1-2H3,(H3,21,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50454640
(CHEMBL4218074)Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)8-6-9-15(16)24-12-13-7-4-5-11-20-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50454642
(CHEMBL4213687)Show InChI InChI=1S/C20H23N5O/c1-2-3-12-22-18-17-15(10-7-11-16(17)24-20(21)25-18)19(26)23-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H,23,26)(H3,21,22,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50454644
(CHEMBL4202404)Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50454637
(CHEMBL4213155)Show InChI InChI=1S/C21H26N4O3/c1-3-4-10-23-20-19-16(24-21(22)25-20)6-5-7-17(19)28-13-15-9-8-14(12-26)11-18(15)27-2/h5-9,11,26H,3-4,10,12-13H2,1-2H3,(H3,22,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50454642
(CHEMBL4213687)Show InChI InChI=1S/C20H23N5O/c1-2-3-12-22-18-17-15(10-7-11-16(17)24-20(21)25-18)19(26)23-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H,23,26)(H3,21,22,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50454643
(CHEMBL4218623)Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)24-21(22)25-19)20(27)26(2)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H3,22,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50454647
(CHEMBL4209700)Show InChI InChI=1S/C19H22N4O/c1-2-3-12-21-18-17-15(22-19(20)23-18)10-7-11-16(17)24-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H3,20,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50454639
(CHEMBL4208231)Show InChI InChI=1S/C20H24N4O2/c1-3-4-12-22-19-18-15(23-20(21)24-19)9-7-11-17(18)26-13-14-8-5-6-10-16(14)25-2/h5-11H,3-4,12-13H2,1-2H3,(H3,21,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50454641
(CHEMBL4206363)Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50454648
(CHEMBL4210732)Show InChI InChI=1S/C14H19N5O/c1-3-4-8-17-12-11-9(13(20)16-2)6-5-7-10(11)18-14(15)19-12/h5-7H,3-4,8H2,1-2H3,(H,16,20)(H3,15,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50454636
(CHEMBL4209289)Show InChI InChI=1S/C16H23N5O/c1-4-5-9-18-14-13-11(15(22)19-10(2)3)7-6-8-12(13)20-16(17)21-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H3,17,18,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50454638
(CHEMBL4207296)Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50454647
(CHEMBL4209700)Show InChI InChI=1S/C19H22N4O/c1-2-3-12-21-18-17-15(22-19(20)23-18)10-7-11-16(17)24-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H3,20,21,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50454637
(CHEMBL4213155)Show InChI InChI=1S/C21H26N4O3/c1-3-4-10-23-20-19-16(24-21(22)25-20)6-5-7-17(19)28-13-15-9-8-14(12-26)11-18(15)27-2/h5-9,11,26H,3-4,10,12-13H2,1-2H3,(H3,22,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50454641
(CHEMBL4206363)Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50454646
(CHEMBL4205861)Show InChI InChI=1S/C20H25N5O3/c1-4-5-10-23-19-17-13(24-20(21)25-19)7-6-8-15(17)28-12-14-18(27-3)16(26-2)9-11-22-14/h6-9,11H,4-5,10,12H2,1-3H3,(H3,21,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50454642
(CHEMBL4213687)Show InChI InChI=1S/C20H23N5O/c1-2-3-12-22-18-17-15(10-7-11-16(17)24-20(21)25-18)19(26)23-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H,23,26)(H3,21,22,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50454643
(CHEMBL4218623)Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)24-21(22)25-19)20(27)26(2)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H3,22,23,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50454638
(CHEMBL4207296)Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50454641
(CHEMBL4206363)Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50454642
(CHEMBL4213687)Show InChI InChI=1S/C20H23N5O/c1-2-3-12-22-18-17-15(10-7-11-16(17)24-20(21)25-18)19(26)23-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H,23,26)(H3,21,22,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50454643
(CHEMBL4218623)Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)24-21(22)25-19)20(27)26(2)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H3,22,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50454640
(CHEMBL4218074)Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)8-6-9-15(16)24-12-13-7-4-5-11-20-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50454646
(CHEMBL4205861)Show InChI InChI=1S/C20H25N5O3/c1-4-5-10-23-19-17-13(24-20(21)25-19)7-6-8-15(17)28-12-14-18(27-3)16(26-2)9-11-22-14/h6-9,11H,4-5,10,12H2,1-3H3,(H3,21,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50454636
(CHEMBL4209289)Show InChI InChI=1S/C16H23N5O/c1-4-5-9-18-14-13-11(15(22)19-10(2)3)7-6-8-12(13)20-16(17)21-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H3,17,18,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50454644
(CHEMBL4202404)Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50454638
(CHEMBL4207296)Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50454638
(CHEMBL4207296)Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50454644
(CHEMBL4202404)Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50454640
(CHEMBL4218074)Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)8-6-9-15(16)24-12-13-7-4-5-11-20-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50454643
(CHEMBL4218623)Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)24-21(22)25-19)20(27)26(2)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H3,22,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this Ligand-Target Pair | |