BDBM50462721 CHEMBL4243822

SMILES: ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1

InChI Key: InChIKey=HTSKKSHDBBPAFS-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 = 50462721   

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))	BDBM50462721 (CHEMBL4243822) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C35H42N8O4/c44-31(14-8-1-2-9-15-32(45)42-46)38-27-16-18-28(19-17-27)39-35-40-33(30-20-21-36-34(30)41-35)26-24-37-43(25-26)22-10-3-4-11-23-47-29-12-6-5-7-13-29/h5-7,12-13,16-21,24-25,46H,1-4,8-11,14-15,22-23H2,(H,38,44)(H,42,45)(H2,36,39,40,41)	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	2.00E+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))	BDBM50462721 (CHEMBL4243822) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C35H42N8O4/c44-31(14-8-1-2-9-15-32(45)42-46)38-27-16-18-28(19-17-27)39-35-40-33(30-20-21-36-34(30)41-35)26-24-37-43(25-26)22-10-3-4-11-23-47-29-12-6-5-7-13-29/h5-7,12-13,16-21,24-25,46H,1-4,8-11,14-15,22-23H2,(H,38,44)(H,42,45)(H2,36,39,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	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))	BDBM50462721 (CHEMBL4243822) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(Nc2nc(-c3cnn(CCCCCCOc4ccccc4)c3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C35H42N8O4/c44-31(14-8-1-2-9-15-32(45)42-46)38-27-16-18-28(19-17-27)39-35-40-33(30-20-21-36-34(30)41-35)26-24-37-43(25-26)22-10-3-4-11-23-47-29-12-6-5-7-13-29/h5-7,12-13,16-21,24-25,46H,1-4,8-11,14-15,22-23H2,(H,38,44)(H,42,45)(H2,36,39,40,41)	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	16	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