BDBM50196772 CHEMBL3936651

SMILES: CCOc1ccc(OC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1

InChI Key: InChIKey=GDXUQGMYOAPPJF-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50196772   

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
Phosphodiesterase 9A (Homo sapiens (Human))	BDBM50196772 (CHEMBL3936651) Show SMILES CCOc1ccc(OC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H30N8O5/c1-4-19-21-22(33(3)31-19)25(36)30-23(29-21)18-12-17(6-7-20(18)38-5-2)39-16-8-10-34(11-9-16)26-27-13-15(14-28-26)24(35)32-37/h6-7,12-14,16,37H,4-5,8-11H2,1-3H3,(H,32,35)(H,29,30,36)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+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 PDE9A2 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
Phosphodiesterase 3 (Homo sapiens (Human))	BDBM50196772 (CHEMBL3936651) Show SMILES CCOc1ccc(OC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H30N8O5/c1-4-19-21-22(33(3)31-19)25(36)30-23(29-21)18-12-17(6-7-20(18)38-5-2)39-16-8-10-34(11-9-16)26-27-13-15(14-28-26)24(35)32-37/h6-7,12-14,16,37H,4-5,8-11H2,1-3H3,(H,32,35)(H,29,30,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of recombinant PDE3A (unknown origin) expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 hr by TR-FRET assay				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))	BDBM50196772 (CHEMBL3936651) Show SMILES CCOc1ccc(OC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H30N8O5/c1-4-19-21-22(33(3)31-19)25(36)30-23(29-21)18-12-17(6-7-20(18)38-5-2)39-16-8-10-34(11-9-16)26-27-13-15(14-28-26)24(35)32-37/h6-7,12-14,16,37H,4-5,8-11H2,1-3H3,(H,32,35)(H,29,30,36)	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	66	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))	BDBM50196772 (CHEMBL3936651) Show SMILES CCOc1ccc(OC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H30N8O5/c1-4-19-21-22(33(3)31-19)25(36)30-23(29-21)18-12-17(6-7-20(18)38-5-2)39-16-8-10-34(11-9-16)26-27-13-15(14-28-26)24(35)32-37/h6-7,12-14,16,37H,4-5,8-11H2,1-3H3,(H,32,35)(H,29,30,36)	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	373	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))	BDBM50196772 (CHEMBL3936651) Show SMILES CCOc1ccc(OC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H30N8O5/c1-4-19-21-22(33(3)31-19)25(36)30-23(29-21)18-12-17(6-7-20(18)38-5-2)39-16-8-10-34(11-9-16)26-27-13-15(14-28-26)24(35)32-37/h6-7,12-14,16,37H,4-5,8-11H2,1-3H3,(H,32,35)(H,29,30,36)	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	10	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
Phosphodiesterase 6C (PDE6C) (Homo sapiens (Human))	BDBM50196772 (CHEMBL3936651) Show SMILES CCOc1ccc(OC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H30N8O5/c1-4-19-21-22(33(3)31-19)25(36)30-23(29-21)18-12-17(6-7-20(18)38-5-2)39-16-8-10-34(11-9-16)26-27-13-15(14-28-26)24(35)32-37/h6-7,12-14,16,37H,4-5,8-11H2,1-3H3,(H,32,35)(H,29,30,36)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST tagged PDE6C (unknown origin) expressed in baculovirus infected Sf9 cells using cGMP as substrate by malachi...				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))	BDBM50196772 (CHEMBL3936651) Show SMILES CCOc1ccc(OC2CCN(CC2)c2ncc(cn2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C26H30N8O5/c1-4-19-21-22(33(3)31-19)25(36)30-23(29-21)18-12-17(6-7-20(18)38-5-2)39-16-8-10-34(11-9-16)26-27-13-15(14-28-26)24(35)32-37/h6-7,12-14,16,37H,4-5,8-11H2,1-3H3,(H,32,35)(H,29,30,36)	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	432	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