BDBM50464998 CHEMBL4284354

SMILES: COc1ccc(NC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC

InChI Key: InChIKey=URIRVYFWHKYUDQ-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50464998   

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-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM50464998 (CHEMBL4284354) Show SMILES COc1ccc(NC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC Show InChI InChI=1S/C18H22N4O4S/c1-24-14-5-4-12(10-15(14)25-2)20-17(23)13-11-19-18(27-3)21-16(13)22-6-8-26-9-7-22/h4-5,10-11H,6-9H2,1-3H3,(H,20,23)	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PDE3B (592-end residues) expressed in baculovirus infected Sf9 cells using cAMP as substrate af...				Eur J Med Chem 145: 673-690 (2018) Article DOI: 10.1016/j.ejmech.2017.12.069 BindingDB Entry DOI: 10.7270/Q21R6T6D
					More data for this Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5) (Homo sapiens (Human))	BDBM50464998 (CHEMBL4284354) Show SMILES COc1ccc(NC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC Show InChI InChI=1S/C18H22N4O4S/c1-24-14-5-4-12(10-15(14)25-2)20-17(23)13-11-19-18(27-3)21-16(13)22-6-8-26-9-7-22/h4-5,10-11H,6-9H2,1-3H3,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PDE4A4 (2 to 886 residues) expressed in baculovirus infected Sf9 cells using cAMP as substrate ...				Eur J Med Chem 145: 673-690 (2018) Article DOI: 10.1016/j.ejmech.2017.12.069 BindingDB Entry DOI: 10.7270/Q21R6T6D
					More data for this Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5) (Homo sapiens (Human))	BDBM50464998 (CHEMBL4284354) Show SMILES COc1ccc(NC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC Show InChI InChI=1S/C18H22N4O4S/c1-24-14-5-4-12(10-15(14)25-2)20-17(23)13-11-19-18(27-3)21-16(13)22-6-8-26-9-7-22/h4-5,10-11H,6-9H2,1-3H3,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	756	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged PDE4A1 expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 ...				Eur J Med Chem 145: 673-690 (2018) Article DOI: 10.1016/j.ejmech.2017.12.069 BindingDB Entry DOI: 10.7270/Q21R6T6D
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50464998 (CHEMBL4284354) Show SMILES COc1ccc(NC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC Show InChI InChI=1S/C18H22N4O4S/c1-24-14-5-4-12(10-15(14)25-2)20-17(23)13-11-19-18(27-3)21-16(13)22-6-8-26-9-7-22/h4-5,10-11H,6-9H2,1-3H3,(H,20,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 ...				Eur J Med Chem 145: 673-690 (2018) Article DOI: 10.1016/j.ejmech.2017.12.069 BindingDB Entry DOI: 10.7270/Q21R6T6D
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50464998 (CHEMBL4284354) Show SMILES COc1ccc(NC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC Show InChI InChI=1S/C18H22N4O4S/c1-24-14-5-4-12(10-15(14)25-2)20-17(23)13-11-19-18(27-3)21-16(13)22-6-8-26-9-7-22/h4-5,10-11H,6-9H2,1-3H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged PDE4C1 expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 ...				Eur J Med Chem 145: 673-690 (2018) Article DOI: 10.1016/j.ejmech.2017.12.069 BindingDB Entry DOI: 10.7270/Q21R6T6D
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50464998 (CHEMBL4284354) Show SMILES COc1ccc(NC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC Show InChI InChI=1S/C18H22N4O4S/c1-24-14-5-4-12(10-15(14)25-2)20-17(23)13-11-19-18(27-3)21-16(13)22-6-8-26-9-7-22/h4-5,10-11H,6-9H2,1-3H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PDE4D7 (2 to 748 residues) expressed in baculovirus infected Sf9 cells using cAMP as substrate ...				Eur J Med Chem 145: 673-690 (2018) Article DOI: 10.1016/j.ejmech.2017.12.069 BindingDB Entry DOI: 10.7270/Q21R6T6D
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50464998 (CHEMBL4284354) Show SMILES COc1ccc(NC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC Show InChI InChI=1S/C18H22N4O4S/c1-24-14-5-4-12(10-15(14)25-2)20-17(23)13-11-19-18(27-3)21-16(13)22-6-8-26-9-7-22/h4-5,10-11H,6-9H2,1-3H3,(H,20,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 ...				Eur J Med Chem 145: 673-690 (2018) Article DOI: 10.1016/j.ejmech.2017.12.069 BindingDB Entry DOI: 10.7270/Q21R6T6D
					More data for this Ligand-Target Pair
Phosphodiesterase 11A (Homo sapiens (Human))	BDBM50464998 (CHEMBL4284354) Show SMILES COc1ccc(NC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC Show InChI InChI=1S/C18H22N4O4S/c1-24-14-5-4-12(10-15(14)25-2)20-17(23)13-11-19-18(27-3)21-16(13)22-6-8-26-9-7-22/h4-5,10-11H,6-9H2,1-3H3,(H,20,23)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of PDE11A (unknown origin) using cAMP as substrate after 1 hr by LANCE TR-FRET assay				Eur J Med Chem 145: 673-690 (2018) Article DOI: 10.1016/j.ejmech.2017.12.069 BindingDB Entry DOI: 10.7270/Q21R6T6D
					More data for this Ligand-Target Pair