Found 3 hits for monomerid = 50195117 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)) | BDBM50195117
(CHEMBL387224 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...)Show SMILES CN1CCCC(C1)C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C32H42N4O3/c1-23(37)12-5-3-8-18-29(35-31(38)25-15-11-21-36(2)22-25)32(39)33-20-19-27-26-16-9-10-17-28(26)34-30(27)24-13-6-4-7-14-24/h4,6-7,9-10,13-14,16-17,25,29,34H,3,5,8,11-12,15,18-22H2,1-2H3,(H,33,39)(H,35,38)/t25?,29-/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 | 200 | 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)) | BDBM50195117
(CHEMBL387224 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...)Show SMILES CN1CCCC(C1)C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C32H42N4O3/c1-23(37)12-5-3-8-18-29(35-31(38)25-15-11-21-36(2)22-25)32(39)33-20-19-27-26-16-9-10-17-28(26)34-30(27)24-13-6-4-7-14-24/h4,6-7,9-10,13-14,16-17,25,29,34H,3,5,8,11-12,15,18-22H2,1-2H3,(H,33,39)(H,35,38)/t25?,29-/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 | 200 | 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)) | BDBM50195117
(CHEMBL387224 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...)Show SMILES CN1CCCC(C1)C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C32H42N4O3/c1-23(37)12-5-3-8-18-29(35-31(38)25-15-11-21-36(2)22-25)32(39)33-20-19-27-26-16-9-10-17-28(26)34-30(27)24-13-6-4-7-14-24/h4,6-7,9-10,13-14,16-17,25,29,34H,3,5,8,11-12,15,18-22H2,1-2H3,(H,33,39)(H,35,38)/t25?,29-/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 | 2.00E+3 | 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 | |