BDBM50517568 CHEMBL4438566

SMILES: ONC(=O)c1ccc(CN2c3ccccc3Sc3ccccc23)cc1

InChI Key: InChIKey=MKMZJKFJHZVYQT-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 = 50517568   

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))	BDBM50517568 (CHEMBL4438566) Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccccc23)cc1 Show InChI InChI=1S/C20H16N2O2S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12,24H,13H2,(H,21,23)	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	5.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University Munich Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incub...				J Med Chem 62: 1138-1166 (2019) Article DOI: 10.1021/acs.jmedchem.8b01090
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50517568 (CHEMBL4438566) Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccccc23)cc1 Show InChI InChI=1S/C20H16N2O2S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12,24H,13H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University Munich Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 expressed in baculovirus expression system using fluorogenic Arg-His-Lys(Ac)-Lys(Ac) as substrate incubated for...				J Med Chem 62: 1138-1166 (2019) Article DOI: 10.1021/acs.jmedchem.8b01090
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50517568 (CHEMBL4438566) Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3ccccc23)cc1 Show InChI InChI=1S/C20H16N2O2S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12,24H,13H2,(H,21,23)	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University Munich Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...				J Med Chem 62: 1138-1166 (2019) Article DOI: 10.1021/acs.jmedchem.8b01090
					More data for this Ligand-Target Pair