Found 15 hits for monomerid = 50220232 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 |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/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
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERG |
Bioorg Med Chem Lett 17: 5300-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/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 | 942 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human HDAC3 expressed in mammalian cells |
Bioorg Med Chem Lett 18: 6104-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.052 BindingDB Entry DOI: 10.7270/Q23R0SQ2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/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 | 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC8 |
Bioorg Med Chem Lett 17: 5300-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH |
More data for this Ligand-Target Pair | |
MAP kinase-activated protein kinase 3
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/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 | 4.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Activity against human MAPK3 |
Bioorg Med Chem Lett 17: 5300-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 17: 5300-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Activity against human serotonin transporter |
Bioorg Med Chem Lett 17: 5300-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/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 | 939 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3 |
Bioorg Med Chem Lett 17: 5300-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/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 | 272 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC2 |
Bioorg Med Chem Lett 17: 5300-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 17: 5300-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/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 | 2.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 17: 5300-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH |
More data for this Ligand-Target Pair | |
Cereblon/Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC6 |
Bioorg Med Chem Lett 17: 5300-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/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 | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 expressed in mammalian cells |
Bioorg Med Chem Lett 18: 6104-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.052 BindingDB Entry DOI: 10.7270/Q23R0SQ2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/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 | 308 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human HDAC2 expressed in mammalian cells |
Bioorg Med Chem Lett 18: 6104-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.052 BindingDB Entry DOI: 10.7270/Q23R0SQ2 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Activity against human dopamine transporter |
Bioorg Med Chem Lett 17: 5300-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50220232
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/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 | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 |
Bioorg Med Chem Lett 17: 5300-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.023 BindingDB Entry DOI: 10.7270/Q2571BQH |
More data for this Ligand-Target Pair | |