Found 29 hits with Last Name = 'hardcastle' and Initial = 'a' 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 |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50347385
(CHEMBL1801250)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50347385
(CHEMBL1801250)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50347384
(CHEMBL1801238)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50347385
(CHEMBL1801250)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50347384
(CHEMBL1801238)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50347384
(CHEMBL1801238)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC6 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM50347385
(CHEMBL1801250)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+ | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC5 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM50347384
(CHEMBL1801238)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+ | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC5 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50347385
(CHEMBL1801250)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC6 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC5 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50347384
(CHEMBL1801238)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC6 using fluor de Lys as substrate by fluorometric analysis |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50329615
(CHEMBL1270139 | N-hydroxy-2-((3aR,6aS)-5-(naphthal...)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C22H23N5O2/c28-21(25-29)18-8-23-22(24-9-18)27-13-19-11-26(12-20(19)14-27)10-15-5-6-16-3-1-2-4-17(16)7-15/h1-9,19-20,29H,10-14H2,(H,25,28)/t19-,20+ | 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 | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of human ERG channel |
Bioorg Med Chem Lett 20: 6657-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.016 BindingDB Entry DOI: 10.7270/Q2QJ7HH7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50347387
(CHEMBL1801172)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H19N5O4S/c26-19(23-27)14-8-21-20(22-9-14)25-10-16-17(11-25)18(16)24-30(28,29)15-6-5-12-3-1-2-4-13(12)7-15/h1-9,16-18,24,27H,10-11H2,(H,23,26)/t16-,17+,18+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50329615
(CHEMBL1270139 | N-hydroxy-2-((3aR,6aS)-5-(naphthal...)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C22H23N5O2/c28-21(25-29)18-8-23-22(24-9-18)27-13-19-11-26(12-20(19)14-27)10-15-5-6-16-3-1-2-4-17(16)7-15/h1-9,19-20,29H,10-14H2,(H,25,28)/t19-,20+ | 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 |
Chroma Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 at 50 uM |
Bioorg Med Chem Lett 20: 6657-60 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.016 BindingDB Entry DOI: 10.7270/Q2QJ7HH7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50347385
(CHEMBL1801250)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL 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 |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50347384
(CHEMBL1801238)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+ | 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 |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50347387
(CHEMBL1801172)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H19N5O4S/c26-19(23-27)14-8-21-20(22-9-14)25-10-16-17(11-25)18(16)24-30(28,29)15-6-5-12-3-1-2-4-13(12)7-15/h1-9,16-18,24,27H,10-11H2,(H,23,26)/t16-,17+,18+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL 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 |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50347387
(CHEMBL1801172)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H19N5O4S/c26-19(23-27)14-8-21-20(22-9-14)25-10-16-17(11-25)18(16)24-30(28,29)15-6-5-12-3-1-2-4-13(12)7-15/h1-9,16-18,24,27H,10-11H2,(H,23,26)/t16-,17+,18+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50347386
(CHEMBL1801233)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H21N5O2/c27-20(25-28)16-9-23-21(24-10-16)26-11-17-18(12-26)19(17)22-8-13-5-6-14-3-1-2-4-15(14)7-13/h1-7,9-10,17-19,22,28H,8,11-12H2,(H,25,27)/t17-,18+,19+ | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50347385
(CHEMBL1801250)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50347384
(CHEMBL1801238)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+ | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50347386
(CHEMBL1801233)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H21N5O2/c27-20(25-28)16-9-23-21(24-10-16)26-11-17-18(12-26)19(17)22-8-13-5-6-14-3-1-2-4-15(14)7-13/h1-7,9-10,17-19,22,28H,8,11-12H2,(H,25,27)/t17-,18+,19+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50347385
(CHEMBL1801250)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r| Show InChI InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50347384
(CHEMBL1801238)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H18ClN5O2/c18-12-3-1-10(2-4-12)5-19-15-13-8-23(9-14(13)15)17-20-6-11(7-21-17)16(24)22-25/h1-4,6-7,13-15,19,25H,5,8-9H2,(H,22,24)/t13-,14+,15+ | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50347386
(CHEMBL1801233)Show SMILES ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H21N5O2/c27-20(25-28)16-9-23-21(24-10-16)26-11-17-18(12-26)19(17)22-8-13-5-6-14-3-1-2-4-15(14)7-13/h1-7,9-10,17-19,22,28H,8,11-12H2,(H,25,27)/t17-,18+,19+ | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chroma Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 |
J Med Chem 53: 8663-78 (2010)
Article DOI: 10.1021/jm101177s BindingDB Entry DOI: 10.7270/Q2G1616P |
More data for this Ligand-Target Pair | |