Found 17 hits for monomerid = 50399006 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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 UniProtKB/TrEMBL
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 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 | |
Cytochrome P450 1A
(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
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.20E+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 2C19
(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 | 4.30E+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 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)) | 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 UniProtKB/TrEMBL
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 | |
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 UniProtKB/TrEMBL
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 | |
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 UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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 | |
Histone deacetylase 10
(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 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 8
(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 HDAC8 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 | |
Cereblon/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 UniProtKB/TrEMBL
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 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 | |
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 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 | |
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 UniProtKB/TrEMBL
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 | |