BDBM50196647 CHEMBL3901988

SMILES: CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)C1CC(C1)C(=O)NO

InChI Key: InChIKey=XHOQZHUIEYFPGU-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 = 50196647   

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 1 (Homo sapiens (Human))	BDBM50196647 (CHEMBL3901988) Show SMILES CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)C1CC(C1)C(=O)NO |(3.28,-32.96,;3.28,-34.5,;4.61,-35.27,;4.61,-36.81,;3.28,-37.58,;3.28,-39.12,;4.63,-39.89,;5.95,-39.11,;5.95,-37.58,;7.28,-36.81,;8.61,-37.57,;9.94,-36.8,;11.4,-37.27,;11.87,-38.74,;13.38,-39.06,;12.3,-36.03,;11.4,-34.79,;11.87,-33.33,;9.94,-35.27,;8.61,-34.49,;8.61,-32.95,;7.28,-35.27,;4.64,-41.43,;3.55,-42.52,;4.65,-43.6,;5.73,-42.51,;4.66,-45.14,;3.33,-45.92,;5.99,-45.91,;7.32,-45.13,)| Show InChI InChI=1S/C21H25N5O4/c1-4-15-17-18(26(3)24-15)21(28)23-19(22-17)14-10-11(6-7-16(14)30-5-2)12-8-13(9-12)20(27)25-29/h6-7,10,12-13,29H,4-5,8-9H2,1-3H3,(H,25,27)(H,22,23,28)	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	554	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))	BDBM50196647 (CHEMBL3901988) Show SMILES CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)C1CC(C1)C(=O)NO |(3.28,-32.96,;3.28,-34.5,;4.61,-35.27,;4.61,-36.81,;3.28,-37.58,;3.28,-39.12,;4.63,-39.89,;5.95,-39.11,;5.95,-37.58,;7.28,-36.81,;8.61,-37.57,;9.94,-36.8,;11.4,-37.27,;11.87,-38.74,;13.38,-39.06,;12.3,-36.03,;11.4,-34.79,;11.87,-33.33,;9.94,-35.27,;8.61,-34.49,;8.61,-32.95,;7.28,-35.27,;4.64,-41.43,;3.55,-42.52,;4.65,-43.6,;5.73,-42.51,;4.66,-45.14,;3.33,-45.92,;5.99,-45.91,;7.32,-45.13,)| Show InChI InChI=1S/C21H25N5O4/c1-4-15-17-18(26(3)24-15)21(28)23-19(22-17)14-10-11(6-7-16(14)30-5-2)12-8-13(9-12)20(27)25-29/h6-7,10,12-13,29H,4-5,8-9H2,1-3H3,(H,25,27)(H,22,23,28)	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	130	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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196647 (CHEMBL3901988) Show SMILES CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)C1CC(C1)C(=O)NO |(3.28,-32.96,;3.28,-34.5,;4.61,-35.27,;4.61,-36.81,;3.28,-37.58,;3.28,-39.12,;4.63,-39.89,;5.95,-39.11,;5.95,-37.58,;7.28,-36.81,;8.61,-37.57,;9.94,-36.8,;11.4,-37.27,;11.87,-38.74,;13.38,-39.06,;12.3,-36.03,;11.4,-34.79,;11.87,-33.33,;9.94,-35.27,;8.61,-34.49,;8.61,-32.95,;7.28,-35.27,;4.64,-41.43,;3.55,-42.52,;4.65,-43.6,;5.73,-42.51,;4.66,-45.14,;3.33,-45.92,;5.99,-45.91,;7.32,-45.13,)| Show InChI InChI=1S/C21H25N5O4/c1-4-15-17-18(26(3)24-15)21(28)23-19(22-17)14-10-11(6-7-16(14)30-5-2)12-8-13(9-12)20(27)25-29/h6-7,10,12-13,29H,4-5,8-9H2,1-3H3,(H,25,27)(H,22,23,28)	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	17	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 2 (Homo sapiens (Human))	BDBM50196647 (CHEMBL3901988) Show SMILES CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)C1CC(C1)C(=O)NO |(3.28,-32.96,;3.28,-34.5,;4.61,-35.27,;4.61,-36.81,;3.28,-37.58,;3.28,-39.12,;4.63,-39.89,;5.95,-39.11,;5.95,-37.58,;7.28,-36.81,;8.61,-37.57,;9.94,-36.8,;11.4,-37.27,;11.87,-38.74,;13.38,-39.06,;12.3,-36.03,;11.4,-34.79,;11.87,-33.33,;9.94,-35.27,;8.61,-34.49,;8.61,-32.95,;7.28,-35.27,;4.64,-41.43,;3.55,-42.52,;4.65,-43.6,;5.73,-42.51,;4.66,-45.14,;3.33,-45.92,;5.99,-45.91,;7.32,-45.13,)| Show InChI InChI=1S/C21H25N5O4/c1-4-15-17-18(26(3)24-15)21(28)23-19(22-17)14-10-11(6-7-16(14)30-5-2)12-8-13(9-12)20(27)25-29/h6-7,10,12-13,29H,4-5,8-9H2,1-3H3,(H,25,27)(H,22,23,28)	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	1.86E+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 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