BDBM50525179 CHEMBL4450474

SMILES: CCc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1

InChI Key: InChIKey=HYGFVHOHMCNSIF-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50525179   

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 8 (Homo sapiens (Human))	BDBM50525179 (CHEMBL4450474) Show SMILES CCc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1 Show InChI InChI=1S/C22H22N2OS/c1-2-16-9-13-19(14-10-16)26-15-17-7-11-18(12-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-14H,2,15,23H2,1H3,(H,24,25)	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	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 assessed as decrease in deacetylation of FLUOR DE LYS substrate preincubated for 10 mins followed by substrate ...				Eur J Med Chem 176: 195-207 (2019) Article DOI: 10.1016/j.ejmech.2019.05.007
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM50525179 (CHEMBL4450474) Show SMILES CCc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1 Show InChI InChI=1S/C22H22N2OS/c1-2-16-9-13-19(14-10-16)26-15-17-7-11-18(12-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-14H,2,15,23H2,1H3,(H,24,25)	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	71	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human His tagged HDAC1 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...				Eur J Med Chem 176: 195-207 (2019) Article DOI: 10.1016/j.ejmech.2019.05.007
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50525179 (CHEMBL4450474) Show SMILES CCc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1 Show InChI InChI=1S/C22H22N2OS/c1-2-16-9-13-19(14-10-16)26-15-17-7-11-18(12-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-14H,2,15,23H2,1H3,(H,24,25)	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	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human His tagged HDAC6 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...				Eur J Med Chem 176: 195-207 (2019) Article DOI: 10.1016/j.ejmech.2019.05.007
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525179 (CHEMBL4450474) Show SMILES CCc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1 Show InChI InChI=1S/C22H22N2OS/c1-2-16-9-13-19(14-10-16)26-15-17-7-11-18(12-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-14H,2,15,23H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins ...				Eur J Med Chem 176: 195-207 (2019) Article DOI: 10.1016/j.ejmech.2019.05.007
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50525179 (CHEMBL4450474) Show SMILES CCc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1 Show InChI InChI=1S/C22H22N2OS/c1-2-16-9-13-19(14-10-16)26-15-17-7-11-18(12-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-14H,2,15,23H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3/NCOR1 assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate preincubated for 10 mins followed b...				Eur J Med Chem 176: 195-207 (2019) Article DOI: 10.1016/j.ejmech.2019.05.007
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 2 (Homo sapiens (Human))	BDBM50525179 (CHEMBL4450474) Show SMILES CCc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1 Show InChI InChI=1S/C22H22N2OS/c1-2-16-9-13-19(14-10-16)26-15-17-7-11-18(12-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-14H,2,15,23H2,1H3,(H,24,25)	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	144	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC2 assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins followed by subs...				Eur J Med Chem 176: 195-207 (2019) Article DOI: 10.1016/j.ejmech.2019.05.007
					More data for this Ligand-Target Pair