BDBM50196774 CHEMBL3895860

SMILES: CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)-c1ccc(o1)C(=O)NO

InChI Key: InChIKey=PLRVHXKDQUSQCB-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 = 50196774   

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))	BDBM50196774 (CHEMBL3895860) Show SMILES CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)-c1ccc(o1)C(=O)NO Show InChI InChI=1S/C21H21N5O5/c1-4-13-17-18(26(3)24-13)21(28)23-19(22-17)12-10-11(6-7-15(12)30-5-2)14-8-9-16(31-14)20(27)25-29/h6-10,29H,4-5H2,1-3H3,(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 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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196774 (CHEMBL3895860) Show SMILES CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)-c1ccc(o1)C(=O)NO Show InChI InChI=1S/C21H21N5O5/c1-4-13-17-18(26(3)24-13)21(28)23-19(22-17)12-10-11(6-7-15(12)30-5-2)14-8-9-16(31-14)20(27)25-29/h6-10,29H,4-5H2,1-3H3,(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 Similars	Article PubMed	n/a	n/a	5	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))	BDBM50196774 (CHEMBL3895860) Show SMILES CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)-c1ccc(o1)C(=O)NO Show InChI InChI=1S/C21H21N5O5/c1-4-13-17-18(26(3)24-13)21(28)23-19(22-17)12-10-11(6-7-15(12)30-5-2)14-8-9-16(31-14)20(27)25-29/h6-10,29H,4-5H2,1-3H3,(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 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/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))	BDBM50196774 (CHEMBL3895860) Show SMILES CCOc1ccc(cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1)-c1ccc(o1)C(=O)NO Show InChI InChI=1S/C21H21N5O5/c1-4-13-17-18(26(3)24-13)21(28)23-19(22-17)12-10-11(6-7-15(12)30-5-2)14-8-9-16(31-14)20(27)25-29/h6-10,29H,4-5H2,1-3H3,(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 Similars	Article PubMed	n/a	n/a	5.57E+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