BDBM50244839 CHEMBL4102189

SMILES: COC(=O)CCCCCCC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1

InChI Key: InChIKey=UTPPSMUUXGKWBH-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50244839   

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))	BDBM50244839 (CHEMBL4102189) Show SMILES COC(=O)CCCCCCC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)22-16-19-17-30-28(33-26(19)35(22)21-10-8-9-11-21)32-23-15-14-20(18-29-23)31-24(36)12-6-4-5-7-13-25(37)39-3/h14-18,21H,4-13H2,1-3H3,(H,31,36)(H,29,30,32,33)	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Nankai University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				J Med Chem 61: 3166-3192 (2018) Article DOI: 10.1021/acs.jmedchem.8b00209 BindingDB Entry DOI: 10.7270/Q2KS6TZK
					More data for this Ligand-Target Pair
CDK4/Cyclin D3 (Homo sapiens (Human))	BDBM50244839 (CHEMBL4102189) Show SMILES COC(=O)CCCCCCC(=O)Nc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 Show InChI InChI=1S/C28H37N7O4/c1-34(2)27(38)22-16-19-17-30-28(33-26(19)35(22)21-10-8-9-11-21)32-23-15-14-20(18-29-23)31-24(36)12-6-4-5-7-13-25(37)39-3/h14-18,21H,4-13H2,1-3H3,(H,31,36)(H,29,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Nankai University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i...				J Med Chem 61: 3166-3192 (2018) Article DOI: 10.1021/acs.jmedchem.8b00209 BindingDB Entry DOI: 10.7270/Q2KS6TZK
					More data for this Ligand-Target Pair