BDBM50244820 CHEMBL4097567

SMILES: CCCNNC(=O)CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1

InChI Key: InChIKey=HUWFWFGYLSDNMK-SANMLTNESA-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 = 50244820   

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))	BDBM50244820 (CHEMBL4097567) Show SMILES CCCNNC(=O)CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H39N5O4/c1-3-17-32-34-27(35)12-6-4-5-9-18-30-29(37)26(19-22-20-31-25-11-8-7-10-24(22)25)33-28(36)21-13-15-23(38-2)16-14-21/h7-8,10-11,13-16,20,26,31-32H,3-6,9,12,17-19H2,1-2H3,(H,30,37)(H,33,36)(H,34,35)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	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))	BDBM50244820 (CHEMBL4097567) Show SMILES CCCNNC(=O)CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H39N5O4/c1-3-17-32-34-27(35)12-6-4-5-9-18-30-29(37)26(19-22-20-31-25-11-8-7-10-24(22)25)33-28(36)21-13-15-23(38-2)16-14-21/h7-8,10-11,13-16,20,26,31-32H,3-6,9,12,17-19H2,1-2H3,(H,30,37)(H,33,36)(H,34,35)/t26-/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	191	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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50244820 (CHEMBL4097567) Show SMILES CCCNNC(=O)CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H39N5O4/c1-3-17-32-34-27(35)12-6-4-5-9-18-30-29(37)26(19-22-20-31-25-11-8-7-10-24(22)25)33-28(36)21-13-15-23(38-2)16-14-21/h7-8,10-11,13-16,20,26,31-32H,3-6,9,12,17-19H2,1-2H3,(H,30,37)(H,33,36)(H,34,35)/t26-/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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244820 (CHEMBL4097567) Show SMILES CCCNNC(=O)CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H39N5O4/c1-3-17-32-34-27(35)12-6-4-5-9-18-30-29(37)26(19-22-20-31-25-11-8-7-10-24(22)25)33-28(36)21-13-15-23(38-2)16-14-21/h7-8,10-11,13-16,20,26,31-32H,3-6,9,12,17-19H2,1-2H3,(H,30,37)(H,33,36)(H,34,35)/t26-/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	92	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