Found 3 hits for monomerid = 50195121 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)) | BDBM50195121
((S)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc3c([nH]c4ccccc34)-c3ccccc3)c2c1 Show InChI InChI=1S/C37H42N4O4/c1-24(42)12-6-4-9-17-34(40-35(43)23-30-25(2)39-33-19-18-27(45-3)22-31(30)33)37(44)38-21-20-29-28-15-10-11-16-32(28)41-36(29)26-13-7-5-8-14-26/h5,7-8,10-11,13-16,18-19,22,34,39,41H,4,6,9,12,17,20-21,23H2,1-3H3,(H,38,44)(H,40,43)/t34-/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 | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (mean IC50) |
Bioorg Med Chem Lett 16: 5948-52 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.002 BindingDB Entry DOI: 10.7270/Q2RN38PD |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50195121
((S)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc3c([nH]c4ccccc34)-c3ccccc3)c2c1 Show InChI InChI=1S/C37H42N4O4/c1-24(42)12-6-4-9-17-34(40-35(43)23-30-25(2)39-33-19-18-27(45-3)22-31(30)33)37(44)38-21-20-29-28-15-10-11-16-32(28)41-36(29)26-13-7-5-8-14-26/h5,7-8,10-11,13-16,18-19,22,34,39,41H,4,6,9,12,17,20-21,23H2,1-3H3,(H,38,44)(H,40,43)/t34-/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 | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 |
J Med Chem 51: 1505-29 (2008)
Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50195121
((S)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc3c([nH]c4ccccc34)-c3ccccc3)c2c1 Show InChI InChI=1S/C37H42N4O4/c1-24(42)12-6-4-9-17-34(40-35(43)23-30-25(2)39-33-19-18-27(45-3)22-31(30)33)37(44)38-21-20-29-28-15-10-11-16-32(28)41-36(29)26-13-7-5-8-14-26/h5,7-8,10-11,13-16,18-19,22,34,39,41H,4,6,9,12,17,20-21,23H2,1-3H3,(H,38,44)(H,40,43)/t34-/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 | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 from human HeLa cells |
J Med Chem 51: 1505-29 (2008)
Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT |
More data for this Ligand-Target Pair | |