null

SMILES: CCOc1ccc(CC2CCC(CC(=O)NO)CC2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1

InChI Key: InChIKey=UHKNEXVMKSLWAS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50196779   

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 6 (Homo sapiens (Human))	BDBM50196779 (CHEMBL3976546) Show SMILES CCOc1ccc(CC2CCC(CC(=O)NO)CC2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 |(50.87,-36.7,;50.87,-38.24,;52.21,-39.01,;52.21,-40.55,;50.88,-41.32,;50.88,-42.86,;52.22,-43.63,;52.23,-45.17,;53.57,-45.93,;53.56,-47.47,;54.89,-48.23,;56.23,-47.46,;57.56,-48.23,;58.89,-47.46,;58.89,-45.92,;60.22,-48.23,;61.56,-47.46,;56.22,-45.92,;54.89,-45.15,;53.55,-42.85,;53.54,-41.32,;54.87,-40.55,;56.2,-41.31,;57.53,-40.54,;58.99,-41.01,;59.47,-42.48,;60.97,-42.8,;59.89,-39.77,;58.99,-38.53,;59.47,-37.07,;57.53,-39.01,;56.2,-38.23,;56.2,-36.69,;54.87,-39.01,)| Show InChI InChI=1S/C25H33N5O4/c1-4-19-22-23(30(3)28-19)25(32)27-24(26-22)18-13-17(10-11-20(18)34-5-2)12-15-6-8-16(9-7-15)14-21(31)29-33/h10-11,13,15-16,33H,4-9,12,14H2,1-3H3,(H,29,31)(H,26,27,32)	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	344	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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50196779 (CHEMBL3976546) Show SMILES CCOc1ccc(CC2CCC(CC(=O)NO)CC2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 |(50.87,-36.7,;50.87,-38.24,;52.21,-39.01,;52.21,-40.55,;50.88,-41.32,;50.88,-42.86,;52.22,-43.63,;52.23,-45.17,;53.57,-45.93,;53.56,-47.47,;54.89,-48.23,;56.23,-47.46,;57.56,-48.23,;58.89,-47.46,;58.89,-45.92,;60.22,-48.23,;61.56,-47.46,;56.22,-45.92,;54.89,-45.15,;53.55,-42.85,;53.54,-41.32,;54.87,-40.55,;56.2,-41.31,;57.53,-40.54,;58.99,-41.01,;59.47,-42.48,;60.97,-42.8,;59.89,-39.77,;58.99,-38.53,;59.47,-37.07,;57.53,-39.01,;56.2,-38.23,;56.2,-36.69,;54.87,-39.01,)| Show InChI InChI=1S/C25H33N5O4/c1-4-19-22-23(30(3)28-19)25(32)27-24(26-22)18-13-17(10-11-20(18)34-5-2)12-15-6-8-16(9-7-15)14-21(31)29-33/h10-11,13,15-16,33H,4-9,12,14H2,1-3H3,(H,29,31)(H,26,27,32)	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	>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 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 1 (Homo sapiens (Human))	BDBM50196779 (CHEMBL3976546) Show SMILES CCOc1ccc(CC2CCC(CC(=O)NO)CC2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 |(50.87,-36.7,;50.87,-38.24,;52.21,-39.01,;52.21,-40.55,;50.88,-41.32,;50.88,-42.86,;52.22,-43.63,;52.23,-45.17,;53.57,-45.93,;53.56,-47.47,;54.89,-48.23,;56.23,-47.46,;57.56,-48.23,;58.89,-47.46,;58.89,-45.92,;60.22,-48.23,;61.56,-47.46,;56.22,-45.92,;54.89,-45.15,;53.55,-42.85,;53.54,-41.32,;54.87,-40.55,;56.2,-41.31,;57.53,-40.54,;58.99,-41.01,;59.47,-42.48,;60.97,-42.8,;59.89,-39.77,;58.99,-38.53,;59.47,-37.07,;57.53,-39.01,;56.2,-38.23,;56.2,-36.69,;54.87,-39.01,)| Show InChI InChI=1S/C25H33N5O4/c1-4-19-22-23(30(3)28-19)25(32)27-24(26-22)18-13-17(10-11-20(18)34-5-2)12-15-6-8-16(9-7-15)14-21(31)29-33/h10-11,13,15-16,33H,4-9,12,14H2,1-3H3,(H,29,31)(H,26,27,32)	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	1.53E+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/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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196779 (CHEMBL3976546) Show SMILES CCOc1ccc(CC2CCC(CC(=O)NO)CC2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 |(50.87,-36.7,;50.87,-38.24,;52.21,-39.01,;52.21,-40.55,;50.88,-41.32,;50.88,-42.86,;52.22,-43.63,;52.23,-45.17,;53.57,-45.93,;53.56,-47.47,;54.89,-48.23,;56.23,-47.46,;57.56,-48.23,;58.89,-47.46,;58.89,-45.92,;60.22,-48.23,;61.56,-47.46,;56.22,-45.92,;54.89,-45.15,;53.55,-42.85,;53.54,-41.32,;54.87,-40.55,;56.2,-41.31,;57.53,-40.54,;58.99,-41.01,;59.47,-42.48,;60.97,-42.8,;59.89,-39.77,;58.99,-38.53,;59.47,-37.07,;57.53,-39.01,;56.2,-38.23,;56.2,-36.69,;54.87,-39.01,)| Show InChI InChI=1S/C25H33N5O4/c1-4-19-22-23(30(3)28-19)25(32)27-24(26-22)18-13-17(10-11-20(18)34-5-2)12-15-6-8-16(9-7-15)14-21(31)29-33/h10-11,13,15-16,33H,4-9,12,14H2,1-3H3,(H,29,31)(H,26,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	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