BDBM50462242 CHEMBL4245392

SMILES: CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCC(=O)NO)ccc23)c(O)cc1O

InChI Key: InChIKey=HTPWVUBRJKORSV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50462242   

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))	BDBM50462242 (CHEMBL4245392) Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCC(=O)NO)ccc23)c(O)cc1O Show InChI InChI=1S/C24H29N3O6/c1-14(2)17-12-18(21(29)13-20(17)28)24(32)27-10-9-15-11-16(7-8-19(15)27)25-22(30)5-3-4-6-23(31)26-33/h7-8,11-14,28-29,33H,3-6,9-10H2,1-2H3,(H,25,30)(H,26,31)	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	4.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using RHKK(Ac) as substrate				Eur J Med Chem 150: 667-677 (2018) Article DOI: 10.1016/j.ejmech.2018.03.006 BindingDB Entry DOI: 10.7270/Q2XW4NGM
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50462242 (CHEMBL4245392) Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCC(=O)NO)ccc23)c(O)cc1O Show InChI InChI=1S/C24H29N3O6/c1-14(2)17-12-18(21(29)13-20(17)28)24(32)27-10-9-15-11-16(7-8-19(15)27)25-22(30)5-3-4-6-23(31)26-33/h7-8,11-14,28-29,33H,3-6,9-10H2,1-2H3,(H,25,30)(H,26,31)	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	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human HDAC8 using RHKAcKAc as substrate				Eur J Med Chem 150: 667-677 (2018) Article DOI: 10.1016/j.ejmech.2018.03.006 BindingDB Entry DOI: 10.7270/Q2XW4NGM
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50462242 (CHEMBL4245392) Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCC(=O)NO)ccc23)c(O)cc1O Show InChI InChI=1S/C24H29N3O6/c1-14(2)17-12-18(21(29)13-20(17)28)24(32)27-10-9-15-11-16(7-8-19(15)27)25-22(30)5-3-4-6-23(31)26-33/h7-8,11-14,28-29,33H,3-6,9-10H2,1-2H3,(H,25,30)(H,26,31)	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	2.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using RHKK(Ac) as substrate				Eur J Med Chem 150: 667-677 (2018) Article DOI: 10.1016/j.ejmech.2018.03.006 BindingDB Entry DOI: 10.7270/Q2XW4NGM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50462242 (CHEMBL4245392) Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCC(=O)NO)ccc23)c(O)cc1O Show InChI InChI=1S/C24H29N3O6/c1-14(2)17-12-18(21(29)13-20(17)28)24(32)27-10-9-15-11-16(7-8-19(15)27)25-22(30)5-3-4-6-23(31)26-33/h7-8,11-14,28-29,33H,3-6,9-10H2,1-2H3,(H,25,30)(H,26,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human HDAC3 using RHKK(Ac) as substrate				Eur J Med Chem 150: 667-677 (2018) Article DOI: 10.1016/j.ejmech.2018.03.006 BindingDB Entry DOI: 10.7270/Q2XW4NGM
					More data for this Ligand-Target Pair