BDBM50244849 CHEMBL4083345

SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)NCCCCCC(=O)NO)cc3)nc2n1C1CCCC1

InChI Key: InChIKey=HWCQAMUELSLEQU-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 = 50244849   

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))	BDBM50244849 (CHEMBL4083345) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)NCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C27H36N8O4/c1-34(2)25(37)22-16-18-17-29-26(32-24(18)35(22)21-8-5-6-9-21)30-19-11-13-20(14-12-19)31-27(38)28-15-7-3-4-10-23(36)33-39/h11-14,16-17,21,39H,3-10,15H2,1-2H3,(H,33,36)(H2,28,31,38)(H,29,30,32)	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	1.60	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))	BDBM50244849 (CHEMBL4083345) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)NCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C27H36N8O4/c1-34(2)25(37)22-16-18-17-29-26(32-24(18)35(22)21-8-5-6-9-21)30-19-11-13-20(14-12-19)31-27(38)28-15-7-3-4-10-23(36)33-39/h11-14,16-17,21,39H,3-10,15H2,1-2H3,(H,33,36)(H2,28,31,38)(H,29,30,32)	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	8.40	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