BDBM50244894 CHEMBL4090436

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

InChI Key: InChIKey=DBSOZGMFMXFGTO-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 = 50244894   

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
CDK4/Cyclin D3 (Homo sapiens (Human))	BDBM50244894 (CHEMBL4090436) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C26H33N7O4/c1-32(2)25(36)21-15-17-16-27-26(30-24(17)33(21)20-7-3-4-8-20)29-19-13-11-18(12-14-19)28-22(34)9-5-6-10-23(35)31-37/h11-16,20,37H,3-10H2,1-2H3,(H,28,34)(H,31,35)(H,27,29,30)	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	11	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244894 (CHEMBL4090436) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCC(=O)NO)cc3)nc2n1C1CCCC1 Show InChI InChI=1S/C26H33N7O4/c1-32(2)25(36)21-15-17-16-27-26(30-24(17)33(21)20-7-3-4-8-20)29-19-13-11-18(12-14-19)28-22(34)9-5-6-10-23(35)31-37/h11-16,20,37H,3-10H2,1-2H3,(H,28,34)(H,31,35)(H,27,29,30)	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	27	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