BDBM50462725 CHEMBL4240012

SMILES: ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1

InChI Key: InChIKey=QFKKPGNSPFXZMV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50462725   

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
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM50462725 (CHEMBL4240012) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C33H38N8O4/c42-29(12-6-1-2-7-13-30(43)40-44)36-25-14-16-26(17-15-25)37-33-38-31(28-18-19-34-32(28)39-33)24-22-35-41(23-24)20-8-9-21-45-27-10-4-3-5-11-27/h3-5,10-11,14-19,22-23,44H,1-2,6-9,12-13,20-21H2,(H,36,42)(H,40,43)(H2,34,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50462725 (CHEMBL4240012) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C33H38N8O4/c42-29(12-6-1-2-7-13-30(43)40-44)36-25-14-16-26(17-15-25)37-33-38-31(28-18-19-34-32(28)39-33)24-22-35-41(23-24)20-8-9-21-45-27-10-4-3-5-11-27/h3-5,10-11,14-19,22-23,44H,1-2,6-9,12-13,20-21H2,(H,36,42)(H,40,43)(H2,34,37,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50462725 (CHEMBL4240012) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C33H38N8O4/c42-29(12-6-1-2-7-13-30(43)40-44)36-25-14-16-26(17-15-25)37-33-38-31(28-18-19-34-32(28)39-33)24-22-35-41(23-24)20-8-9-21-45-27-10-4-3-5-11-27/h3-5,10-11,14-19,22-23,44H,1-2,6-9,12-13,20-21H2,(H,36,42)(H,40,43)(H2,34,37,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate				Bioorg Med Chem Lett 28: 2636-2640 (2018) Article DOI: 10.1016/j.bmcl.2018.06.037 BindingDB Entry DOI: 10.7270/Q2T1568C
					More data for this Ligand-Target Pair