Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50040727 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)) | BDBM50399006
(CHEMBL2177587)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m1/s1 | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50334366
(CHEMBL1643308 | N-(2-aminophenyl)-3-(4-(1-(2-morph...)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)C(NCCN1CCOCC1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H32F3N5O3/c31-30(32,33)23-10-12-24(13-11-23)36-29(40)28(35-15-16-38-17-19-41-20-18-38)22-8-5-21(6-9-22)7-14-27(39)37-26-4-2-1-3-25(26)34/h1-14,28,35H,15-20,34H2,(H,36,40)(H,37,39)/b14-7+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50399004
(CHEMBL2177582)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClFN4O2/c1-33-15-21(22(16-33)27(35)31-19-10-8-18(28)9-11-19)20-12-6-17(14-23(20)29)7-13-26(34)32-25-5-3-2-4-24(25)30/h2-14,21-22H,15-16,30H2,1H3,(H,31,35)(H,32,34)/b13-7+/t21-,22+/m1/s1 | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50399005
(CHEMBL2177588)Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m0/s1 | 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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50399005
(CHEMBL2177588)Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m0/s1 | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50399004
(CHEMBL2177582)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClFN4O2/c1-33-15-21(22(16-33)27(35)31-19-10-8-18(28)9-11-19)20-12-6-17(14-23(20)29)7-13-26(34)32-25-5-3-2-4-24(25)30/h2-14,21-22H,15-16,30H2,1H3,(H,31,35)(H,32,34)/b13-7+/t21-,22+/m1/s1 | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50399006
(CHEMBL2177587)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m1/s1 | 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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50399004
(CHEMBL2177582)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClFN4O2/c1-33-15-21(22(16-33)27(35)31-19-10-8-18(28)9-11-19)20-12-6-17(14-23(20)29)7-13-26(34)32-25-5-3-2-4-24(25)30/h2-14,21-22H,15-16,30H2,1H3,(H,31,35)(H,32,34)/b13-7+/t21-,22+/m1/s1 | 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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50399006
(CHEMBL2177587)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m1/s1 | 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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50399005
(CHEMBL2177588)Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m0/s1 | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50399008
(CHEMBL2178223)Show SMILES CC(C)(O)CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H33ClN4O3/c1-30(2,38)19-35-17-24(25(18-35)29(37)33-23-14-12-22(31)13-15-23)21-10-7-20(8-11-21)9-16-28(36)34-27-6-4-3-5-26(27)32/h3-16,24-25,38H,17-19,32H2,1-2H3,(H,33,37)(H,34,36)/b16-9+/t24-,25+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM50399005
(CHEMBL2177588)Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC5 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50399005
(CHEMBL2177588)Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC10 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399007
(CHEMBL2178221)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H29ClN4O3/c29-21-10-12-22(13-11-21)31-28(36)24-18-33(15-16-34)17-23(24)20-8-5-19(6-9-20)7-14-27(35)32-26-4-2-1-3-25(26)30/h1-14,23-24,34H,15-18,30H2,(H,31,36)(H,32,35)/b14-7+/t23-,24+/m1/s1 | 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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50399007
(CHEMBL2178221)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H29ClN4O3/c29-21-10-12-22(13-11-21)31-28(36)24-18-33(15-16-34)17-23(24)20-8-5-19(6-9-20)7-14-27(35)32-26-4-2-1-3-25(26)30/h1-14,23-24,34H,15-18,30H2,(H,31,36)(H,32,35)/b14-7+/t23-,24+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50399007
(CHEMBL2178221)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H29ClN4O3/c29-21-10-12-22(13-11-21)31-28(36)24-18-33(15-16-34)17-23(24)20-8-5-19(6-9-20)7-14-27(35)32-26-4-2-1-3-25(26)30/h1-14,23-24,34H,15-18,30H2,(H,31,36)(H,32,35)/b14-7+/t23-,24+/m1/s1 | 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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399008
(CHEMBL2178223)Show SMILES CC(C)(O)CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H33ClN4O3/c1-30(2,38)19-35-17-24(25(18-35)29(37)33-23-14-12-22(31)13-15-23)21-10-7-20(8-11-21)9-16-28(36)34-27-6-4-3-5-26(27)32/h3-16,24-25,38H,17-19,32H2,1-2H3,(H,33,37)(H,34,36)/b16-9+/t24-,25+/m1/s1 | 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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50399006
(CHEMBL2177587)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC10 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM50399006
(CHEMBL2177587)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC5 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50399008
(CHEMBL2178223)Show SMILES CC(C)(O)CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H33ClN4O3/c1-30(2,38)19-35-17-24(25(18-35)29(37)33-23-14-12-22(31)13-15-23)21-10-7-20(8-11-21)9-16-28(36)34-27-6-4-3-5-26(27)32/h3-16,24-25,38H,17-19,32H2,1-2H3,(H,33,37)(H,34,36)/b16-9+/t24-,25+/m1/s1 | 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 |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399004
(CHEMBL2177582)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClFN4O2/c1-33-15-21(22(16-33)27(35)31-19-10-8-18(28)9-11-19)20-12-6-17(14-23(20)29)7-13-26(34)32-25-5-3-2-4-24(25)30/h2-14,21-22H,15-16,30H2,1H3,(H,31,35)(H,32,34)/b13-7+/t21-,22+/m1/s1 | 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 |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50399004
(CHEMBL2177582)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClFN4O2/c1-33-15-21(22(16-33)27(35)31-19-10-8-18(28)9-11-19)20-12-6-17(14-23(20)29)7-13-26(34)32-25-5-3-2-4-24(25)30/h2-14,21-22H,15-16,30H2,1H3,(H,31,35)(H,32,34)/b13-7+/t21-,22+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC10 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50399005
(CHEMBL2177588)Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m0/s1 | 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 |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50399006
(CHEMBL2177587)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m1/s1 | 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 |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM50399004
(CHEMBL2177582)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClFN4O2/c1-33-15-21(22(16-33)27(35)31-19-10-8-18(28)9-11-19)20-12-6-17(14-23(20)29)7-13-26(34)32-25-5-3-2-4-24(25)30/h2-14,21-22H,15-16,30H2,1H3,(H,31,35)(H,32,34)/b13-7+/t21-,22+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC5 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50399008
(CHEMBL2178223)Show SMILES CC(C)(O)CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H33ClN4O3/c1-30(2,38)19-35-17-24(25(18-35)29(37)33-23-14-12-22(31)13-15-23)21-10-7-20(8-11-21)9-16-28(36)34-27-6-4-3-5-26(27)32/h3-16,24-25,38H,17-19,32H2,1-2H3,(H,33,37)(H,34,36)/b16-9+/t24-,25+/m1/s1 | 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 |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50399004
(CHEMBL2177582)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClFN4O2/c1-33-15-21(22(16-33)27(35)31-19-10-8-18(28)9-11-19)20-12-6-17(14-23(20)29)7-13-26(34)32-25-5-3-2-4-24(25)30/h2-14,21-22H,15-16,30H2,1H3,(H,31,35)(H,32,34)/b13-7+/t21-,22+/m1/s1 | 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 |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50399008
(CHEMBL2178223)Show SMILES CC(C)(O)CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H33ClN4O3/c1-30(2,38)19-35-17-24(25(18-35)29(37)33-23-14-12-22(31)13-15-23)21-10-7-20(8-11-21)9-16-28(36)34-27-6-4-3-5-26(27)32/h3-16,24-25,38H,17-19,32H2,1-2H3,(H,33,37)(H,34,36)/b16-9+/t24-,25+/m1/s1 | 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 |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50399004
(CHEMBL2177582)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClFN4O2/c1-33-15-21(22(16-33)27(35)31-19-10-8-18(28)9-11-19)20-12-6-17(14-23(20)29)7-13-26(34)32-25-5-3-2-4-24(25)30/h2-14,21-22H,15-16,30H2,1H3,(H,31,35)(H,32,34)/b13-7+/t21-,22+/m1/s1 | PDB
UniProtKB/SwissProt
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 |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50399007
(CHEMBL2178221)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H29ClN4O3/c29-21-10-12-22(13-11-21)31-28(36)24-18-33(15-16-34)17-23(24)20-8-5-19(6-9-20)7-14-27(35)32-26-4-2-1-3-25(26)30/h1-14,23-24,34H,15-18,30H2,(H,31,36)(H,32,35)/b14-7+/t23-,24+/m1/s1 | 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 |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50399006
(CHEMBL2177587)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m1/s1 | 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 |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50399006
(CHEMBL2177587)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC4 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 9
(Homo sapiens (Human)) | BDBM50399005
(CHEMBL2177588)Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC9 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50399004
(CHEMBL2177582)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClFN4O2/c1-33-15-21(22(16-33)27(35)31-19-10-8-18(28)9-11-19)20-12-6-17(14-23(20)29)7-13-26(34)32-25-5-3-2-4-24(25)30/h2-14,21-22H,15-16,30H2,1H3,(H,31,35)(H,32,34)/b13-7+/t21-,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399006
(CHEMBL2177587)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m1/s1 | 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 | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 11
(Homo sapiens (Human)) | BDBM50399006
(CHEMBL2177587)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC11 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50399007
(CHEMBL2178221)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H29ClN4O3/c29-21-10-12-22(13-11-21)31-28(36)24-18-33(15-16-34)17-23(24)20-8-5-19(6-9-20)7-14-27(35)32-26-4-2-1-3-25(26)30/h1-14,23-24,34H,15-18,30H2,(H,31,36)(H,32,35)/b14-7+/t23-,24+/m1/s1 | 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 | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 9
(Homo sapiens (Human)) | BDBM50399006
(CHEMBL2177587)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC9 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 11
(Homo sapiens (Human)) | BDBM50399005
(CHEMBL2177588)Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC11 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399005
(CHEMBL2177588)Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m0/s1 | 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 | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50399004
(CHEMBL2177582)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClFN4O2/c1-33-15-21(22(16-33)27(35)31-19-10-8-18(28)9-11-19)20-12-6-17(14-23(20)29)7-13-26(34)32-25-5-3-2-4-24(25)30/h2-14,21-22H,15-16,30H2,1H3,(H,31,35)(H,32,34)/b13-7+/t21-,22+/m1/s1 | 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 | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50399005
(CHEMBL2177588)Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m0/s1 | 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 | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50399007
(CHEMBL2178221)Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H29ClN4O3/c29-21-10-12-22(13-11-21)31-28(36)24-18-33(15-16-34)17-23(24)20-8-5-19(6-9-20)7-14-27(35)32-26-4-2-1-3-25(26)30/h1-14,23-24,34H,15-18,30H2,(H,31,36)(H,32,35)/b14-7+/t23-,24+/m1/s1 | 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 | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50399004
(CHEMBL2177582)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClFN4O2/c1-33-15-21(22(16-33)27(35)31-19-10-8-18(28)9-11-19)20-12-6-17(14-23(20)29)7-13-26(34)32-25-5-3-2-4-24(25)30/h2-14,21-22H,15-16,30H2,1H3,(H,31,35)(H,32,34)/b13-7+/t21-,22+/m1/s1 | 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 | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50399006
(CHEMBL2177587)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m1/s1 | 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 | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS method |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 7
(Homo sapiens (Human)) | BDBM50399004
(CHEMBL2177582)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClFN4O2/c1-33-15-21(22(16-33)27(35)31-19-10-8-18(28)9-11-19)20-12-6-17(14-23(20)29)7-13-26(34)32-25-5-3-2-4-24(25)30/h2-14,21-22H,15-16,30H2,1H3,(H,31,35)(H,32,34)/b13-7+/t21-,22+/m1/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC7 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 7
(Homo sapiens (Human)) | BDBM50399006
(CHEMBL2177587)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m1/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC7 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50399005
(CHEMBL2177588)Show SMILES CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m0/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50399004
(CHEMBL2177582)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H26ClFN4O2/c1-33-15-21(22(16-33)27(35)31-19-10-8-18(28)9-11-19)20-12-6-17(14-23(20)29)7-13-26(34)32-25-5-3-2-4-24(25)30/h2-14,21-22H,15-16,30H2,1H3,(H,31,35)(H,32,34)/b13-7+/t21-,22+/m1/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50399006
(CHEMBL2177587)Show SMILES CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H27ClN4O2/c1-32-16-22(23(17-32)27(34)30-21-13-11-20(28)12-14-21)19-9-6-18(7-10-19)8-15-26(33)31-25-5-3-2-4-24(25)29/h2-15,22-23H,16-17,29H2,1H3,(H,30,34)(H,31,33)/b15-8+/t22-,23+/m1/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche R&D Center-China Ltd.
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 using p53 (379 to 382 residues) based fluorogenic peptide substrate |
J Med Chem 55: 8903-25 (2012)
Article DOI: 10.1021/jm3011838 BindingDB Entry DOI: 10.7270/Q2TT4S3Q |
More data for this Ligand-Target Pair | |