BDBM50458487 CHEMBL4214135

SMILES: CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(Cc2ccc(s2)C(=O)NO)ccc1OCC

InChI Key: InChIKey=UVAOACDYKCHCQN-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50458487   

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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50458487 (CHEMBL4214135) Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(Cc2ccc(s2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C23H25N5O4S/c1-4-6-19-24-13(3)20-23(30)25-21(26-28(19)20)16-12-14(7-9-17(16)32-5-2)11-15-8-10-18(33-15)22(29)27-31/h7-10,12,31H,4-6,11H2,1-3H3,(H,27,29)(H,25,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ...				Eur J Med Chem 150: 506-524 (2018) Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50458487 (CHEMBL4214135) Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(Cc2ccc(s2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C23H25N5O4S/c1-4-6-19-24-13(3)20-23(30)25-21(26-28(19)20)16-12-14(7-9-17(16)32-5-2)11-15-8-10-18(33-15)22(29)27-31/h7-10,12,31H,4-6,11H2,1-3H3,(H,27,29)(H,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	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 human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30...				Eur J Med Chem 150: 506-524 (2018) Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50458487 (CHEMBL4214135) Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(Cc2ccc(s2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C23H25N5O4S/c1-4-6-19-24-13(3)20-23(30)25-21(26-28(19)20)16-12-14(7-9-17(16)32-5-2)11-15-8-10-18(33-15)22(29)27-31/h7-10,12,31H,4-6,11H2,1-3H3,(H,27,29)(H,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin)				Eur J Med Chem 158: 767-780 (2018) Article DOI: 10.1016/j.ejmech.2018.09.028 BindingDB Entry DOI: 10.7270/Q2JS9T4N
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50458487 (CHEMBL4214135) Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(Cc2ccc(s2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C23H25N5O4S/c1-4-6-19-24-13(3)20-23(30)25-21(26-28(19)20)16-12-14(7-9-17(16)32-5-2)11-15-8-10-18(33-15)22(29)27-31/h7-10,12,31H,4-6,11H2,1-3H3,(H,27,29)(H,25,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	793	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using fluorogenic HDAC subst...				Eur J Med Chem 150: 506-524 (2018) Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50458487 (CHEMBL4214135) Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(Cc2ccc(s2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C23H25N5O4S/c1-4-6-19-24-13(3)20-23(30)25-21(26-28(19)20)16-12-14(7-9-17(16)32-5-2)11-15-8-10-18(33-15)22(29)27-31/h7-10,12,31H,4-6,11H2,1-3H3,(H,27,29)(H,25,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.39E+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 human recombinant C-terminal His-tagged HDAC2 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate ...				Eur J Med Chem 150: 506-524 (2018) Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG
					More data for this Ligand-Target Pair