BDBM50196636 CHEMBL3899814

SMILES: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(Cc2ccc(\C=C\C(=O)NO)cc2)CC1

InChI Key: InChIKey=SBNXVUVSBSHGHC-SDNWHVSQSA-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 = 50196636   

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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50196636 (CHEMBL3899814) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(Cc2ccc(\C=C\C(=O)NO)cc2)CC1 Show InChI InChI=1S/C31H37N7O6S/c1-4-6-25-28-29(36(3)34-25)31(40)33-30(32-28)24-19-23(12-13-26(24)44-5-2)45(42,43)38-17-15-37(16-18-38)20-22-9-7-21(8-10-22)11-14-27(39)35-41/h7-14,19,41H,4-6,15-18,20H2,1-3H3,(H,35,39)(H,32,33,40)/b14-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	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))	BDBM50196636 (CHEMBL3899814) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(Cc2ccc(\C=C\C(=O)NO)cc2)CC1 Show InChI InChI=1S/C31H37N7O6S/c1-4-6-25-28-29(36(3)34-25)31(40)33-30(32-28)24-19-23(12-13-26(24)44-5-2)45(42,43)38-17-15-37(16-18-38)20-22-9-7-21(8-10-22)11-14-27(39)35-41/h7-14,19,41H,4-6,15-18,20H2,1-3H3,(H,35,39)(H,32,33,40)/b14-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.97E+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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50196636 (CHEMBL3899814) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(Cc2ccc(\C=C\C(=O)NO)cc2)CC1 Show InChI InChI=1S/C31H37N7O6S/c1-4-6-25-28-29(36(3)34-25)31(40)33-30(32-28)24-19-23(12-13-26(24)44-5-2)45(42,43)38-17-15-37(16-18-38)20-22-9-7-21(8-10-22)11-14-27(39)35-41/h7-14,19,41H,4-6,15-18,20H2,1-3H3,(H,35,39)(H,32,33,40)/b14-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.34E+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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50196636 (CHEMBL3899814) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(Cc2ccc(\C=C\C(=O)NO)cc2)CC1 Show InChI InChI=1S/C31H37N7O6S/c1-4-6-25-28-29(36(3)34-25)31(40)33-30(32-28)24-19-23(12-13-26(24)44-5-2)45(42,43)38-17-15-37(16-18-38)20-22-9-7-21(8-10-22)11-14-27(39)35-41/h7-14,19,41H,4-6,15-18,20H2,1-3H3,(H,35,39)(H,32,33,40)/b14-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	89	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