BDBM50244841 CHEMBL4066630

SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CCCCCCC(=O)NO)nc2n1C1CCCC1

InChI Key: InChIKey=GSYCCFZNJMBJAS-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 = 50244841   

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))	BDBM50244841 (CHEMBL4066630) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CCCCCCC(=O)NO)nc2n1C1CCCC1 Show InChI InChI=1S/C31H43N9O4/c1-37(2)30(43)25-19-22-20-33-31(35-29(22)40(25)23-9-7-8-10-23)34-26-14-13-24(21-32-26)38-15-17-39(18-16-38)28(42)12-6-4-3-5-11-27(41)36-44/h13-14,19-21,23,44H,3-12,15-18H2,1-2H3,(H,36,41)(H,32,33,34,35)	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Nankai University Curated by ChEMBL					Assay Description Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15				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))	BDBM50244841 (CHEMBL4066630) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CCCCCCC(=O)NO)nc2n1C1CCCC1 Show InChI InChI=1S/C31H43N9O4/c1-37(2)30(43)25-19-22-20-33-31(35-29(22)40(25)23-9-7-8-10-23)34-26-14-13-24(21-32-26)38-15-17-39(18-16-38)28(42)12-6-4-3-5-11-27(41)36-44/h13-14,19-21,23,44H,3-12,15-18H2,1-2H3,(H,36,41)(H,32,33,34,35)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Nankai University Curated by ChEMBL					Assay Description Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15				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