BDBM50244819 CHEMBL4066668

SMILES: CCCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1

InChI Key: InChIKey=LMHHLDISEZZCMW-NDEPHWFRSA-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 = 50244819   

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 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50244819 (CHEMBL4066668) Show SMILES CCCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C31H35N5O4/c1-3-4-17-34-36-30(38)23-11-9-21(10-12-23)19-33-31(39)28(18-24-20-32-27-8-6-5-7-26(24)27)35-29(37)22-13-15-25(40-2)16-14-22/h5-16,20,28,32,34H,3-4,17-19H2,1-2H3,(H,33,39)(H,35,37)(H,36,38)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50244819 (CHEMBL4066668) Show SMILES CCCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C31H35N5O4/c1-3-4-17-34-36-30(38)23-11-9-21(10-12-23)19-33-31(39)28(18-24-20-32-27-8-6-5-7-26(24)27)35-29(37)22-13-15-25(40-2)16-14-22/h5-16,20,28,32,34H,3-4,17-19H2,1-2H3,(H,33,39)(H,35,37)(H,36,38)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244819 (CHEMBL4066668) Show SMILES CCCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C31H35N5O4/c1-3-4-17-34-36-30(38)23-11-9-21(10-12-23)19-33-31(39)28(18-24-20-32-27-8-6-5-7-26(24)27)35-29(37)22-13-15-25(40-2)16-14-22/h5-16,20,28,32,34H,3-4,17-19H2,1-2H3,(H,33,39)(H,35,37)(H,36,38)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50244819 (CHEMBL4066668) Show SMILES CCCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C31H35N5O4/c1-3-4-17-34-36-30(38)23-11-9-21(10-12-23)19-33-31(39)28(18-24-20-32-27-8-6-5-7-26(24)27)35-29(37)22-13-15-25(40-2)16-14-22/h5-16,20,28,32,34H,3-4,17-19H2,1-2H3,(H,33,39)(H,35,37)(H,36,38)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 2 hrs...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair