BDBM50458483 CHEMBL4212866

SMILES: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(CC(=O)NO)cc2)ccc1OCC

InChI Key: InChIKey=AFVWNFJXGSIJSF-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50458483   

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))	BDBM50458483 (CHEMBL4212866) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(CC(=O)NO)cc2)ccc1OCC Show InChI InChI=1S/C26H29N5O4/c1-4-6-20-23-24(31(3)29-20)26(33)28-25(27-23)19-14-18(11-12-21(19)35-5-2)13-16-7-9-17(10-8-16)15-22(32)30-34/h7-12,14,34H,4-6,13,15H2,1-3H3,(H,30,32)(H,27,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (95 to 489 residues) expressed in baculovirus inf...				Eur J Med Chem 150: 506-524 (2018) Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50458483 (CHEMBL4212866) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(CC(=O)NO)cc2)ccc1OCC Show InChI InChI=1S/C26H29N5O4/c1-4-6-20-23-24(31(3)29-20)26(33)28-25(27-23)19-14-18(11-12-21(19)35-5-2)13-16-7-9-17(10-8-16)15-22(32)30-34/h7-12,14,34H,4-6,13,15H2,1-3H3,(H,30,32)(H,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30...				Eur J Med Chem 150: 506-524 (2018) Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50458483 (CHEMBL4212866) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(CC(=O)NO)cc2)ccc1OCC Show InChI InChI=1S/C26H29N5O4/c1-4-6-20-23-24(31(3)29-20)26(33)28-25(27-23)19-14-18(11-12-21(19)35-5-2)13-16-7-9-17(10-8-16)15-22(32)30-34/h7-12,14,34H,4-6,13,15H2,1-3H3,(H,30,32)(H,27,28,33)	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	162	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ...				Eur J Med Chem 150: 506-524 (2018) Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50458483 (CHEMBL4212866) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(CC(=O)NO)cc2)ccc1OCC Show InChI InChI=1S/C26H29N5O4/c1-4-6-20-23-24(31(3)29-20)26(33)28-25(27-23)19-14-18(11-12-21(19)35-5-2)13-16-7-9-17(10-8-16)15-22(32)30-34/h7-12,14,34H,4-6,13,15H2,1-3H3,(H,30,32)(H,27,28,33)	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using fluorogenic HDAC subst...				Eur J Med Chem 150: 506-524 (2018) Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50458483 (CHEMBL4212866) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(CC(=O)NO)cc2)ccc1OCC Show InChI InChI=1S/C26H29N5O4/c1-4-6-20-23-24(31(3)29-20)26(33)28-25(27-23)19-14-18(11-12-21(19)35-5-2)13-16-7-9-17(10-8-16)15-22(32)30-34/h7-12,14,34H,4-6,13,15H2,1-3H3,(H,30,32)(H,27,28,33)	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal His-tagged HDAC2 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ...				Eur J Med Chem 150: 506-524 (2018) Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG
					More data for this Ligand-Target Pair