BDBM50016945 CHEMBL3286736
SMILES: Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccc(F)cc1
InChI Key: InChIKey=BRPCQVRPLNOXLB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50016945 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)) | BDBM50016945
(CHEMBL3286736)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H24FN5O3/c26-19-5-1-16(2-6-19)17-3-7-20(27)21(13-17)30-23(32)18-4-8-22(28-14-18)31-11-9-25(10-12-31)15-29-24(33)34-25/h1-8,13-14H,9-12,15,27H2,(H,29,33)(H,30,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 620 | 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 |
ACS Med Chem Lett 5: 340-5 (2014)
Article DOI: 10.1021/ml4004233 BindingDB Entry DOI: 10.7270/Q2HH6MM7 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50016945
(CHEMBL3286736)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H24FN5O3/c26-19-5-1-16(2-6-19)17-3-7-20(27)21(13-17)30-23(32)18-4-8-22(28-14-18)31-11-9-25(10-12-31)15-29-24(33)34-25/h1-8,13-14H,9-12,15,27H2,(H,29,33)(H,30,32) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of FLAG-tagged full-length human recombinant HDAC1 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincub... |
ACS Med Chem Lett 5: 340-5 (2014)
Article DOI: 10.1021/ml4004233 BindingDB Entry DOI: 10.7270/Q2HH6MM7 |
More data for this Ligand-Target Pair | |