BDBM50244955 CHEMBL4091971

SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(CNC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1

InChI Key: InChIKey=VRSVKYKDBAVLGE-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 = 50244955   

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))	BDBM50244955 (CHEMBL4091971) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(CNC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C29H39N7O4/c1-35(2)28(39)24-17-21-19-31-29(33-27(21)36(24)23-9-7-8-10-23)32-22-15-13-20(14-16-22)18-30-25(37)11-5-3-4-6-12-26(38)34-40/h13-17,19,23,40H,3-12,18H2,1-2H3,(H,30,37)(H,34,38)(H,31,32,33)	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	53	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))	BDBM50244955 (CHEMBL4091971) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(CNC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C29H39N7O4/c1-35(2)28(39)24-17-21-19-31-29(33-27(21)36(24)23-9-7-8-10-23)32-22-15-13-20(14-16-22)18-30-25(37)11-5-3-4-6-12-26(38)34-40/h13-17,19,23,40H,3-12,18H2,1-2H3,(H,30,37)(H,34,38)(H,31,32,33)	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	10	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