BDBM50196672 CHEMBL3895838

SMILES: CCOc1ccc(CC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1

InChI Key: InChIKey=VLMYLGPYYNFPET-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 = 50196672   

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 2 (Homo sapiens (Human))	BDBM50196672 (CHEMBL3895838) Show SMILES CCOc1ccc(CC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C27H32N8O4/c1-4-20-22-23(34(3)32-20)26(37)31-24(30-22)19-13-17(6-7-21(19)39-5-2)12-16-8-10-35(11-9-16)27-28-14-18(15-29-27)25(36)33-38/h6-7,13-16,38H,4-5,8-12H2,1-3H3,(H,33,36)(H,30,31,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	335	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC2 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate ...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50196672 (CHEMBL3895838) Show SMILES CCOc1ccc(CC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C27H32N8O4/c1-4-20-22-23(34(3)32-20)26(37)31-24(30-22)19-13-17(6-7-21(19)39-5-2)12-16-8-10-35(11-9-16)27-28-14-18(15-29-27)25(36)33-38/h6-7,13-16,38H,4-5,8-12H2,1-3H3,(H,33,36)(H,30,31,37)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus in...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196672 (CHEMBL3895838) Show SMILES CCOc1ccc(CC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C27H32N8O4/c1-4-20-22-23(34(3)32-20)26(37)31-24(30-22)19-13-17(6-7-21(19)39-5-2)12-16-8-10-35(11-9-16)27-28-14-18(15-29-27)25(36)33-38/h6-7,13-16,38H,4-5,8-12H2,1-3H3,(H,33,36)(H,30,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50196672 (CHEMBL3895838) Show SMILES CCOc1ccc(CC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C27H32N8O4/c1-4-20-22-23(34(3)32-20)26(37)31-24(30-22)19-13-17(6-7-21(19)39-5-2)12-16-8-10-35(11-9-16)27-28-14-18(15-29-27)25(36)33-38/h6-7,13-16,38H,4-5,8-12H2,1-3H3,(H,33,36)(H,30,31,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His/Flag-tagged HDAC1 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC subst...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50196672 (CHEMBL3895838) Show SMILES CCOc1ccc(CC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C27H32N8O4/c1-4-20-22-23(34(3)32-20)26(37)31-24(30-22)19-13-17(6-7-21(19)39-5-2)12-16-8-10-35(11-9-16)27-28-14-18(15-29-27)25(36)33-38/h6-7,13-16,38H,4-5,8-12H2,1-3H3,(H,33,36)(H,30,31,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST tagged HDAC6 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate ...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
					More data for this Ligand-Target Pair