BDBM50362043 CHEMBL1940053

SMILES: COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1

InChI Key: InChIKey=IPHACPSYWWYGQN-UHFFFAOYSA-N

Data: 11 KI

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 11 hits for monomerid = 50362043   

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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50362043 (CHEMBL1940053) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1 Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50362043 (CHEMBL1940053) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1 Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cAMP from human recombinant PDE10A1 by competitive binding assay				Bioorg Med Chem Lett 22: 235-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.023 BindingDB Entry DOI: 10.7270/Q2862GWC
					More data for this Ligand-Target Pair
Phosphodiesterase 11A (PDE11A) (Homo sapiens (Human))	BDBM50362043 (CHEMBL1940053) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1 Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cAMP from PDE11A3 by competitive binding assay				Bioorg Med Chem Lett 22: 235-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.023 BindingDB Entry DOI: 10.7270/Q2862GWC
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50362043 (CHEMBL1940053) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1 Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cAMP from PDE5A1 by competitive binding assay				Bioorg Med Chem Lett 22: 235-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.023 BindingDB Entry DOI: 10.7270/Q2862GWC
					More data for this Ligand-Target Pair
Phosphodiesterase 7 (Homo sapiens (Human))	BDBM50362043 (CHEMBL1940053) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1 Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cAMP from PDE7A1 by competitive binding assay				Bioorg Med Chem Lett 22: 235-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.023 BindingDB Entry DOI: 10.7270/Q2862GWC
					More data for this Ligand-Target Pair
Phosphodiesterase 8 (Homo sapiens (Human))	BDBM50362043 (CHEMBL1940053) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1 Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cAMP from PDE8A1 by competitive binding assay				Bioorg Med Chem Lett 22: 235-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.023 BindingDB Entry DOI: 10.7270/Q2862GWC
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50362043 (CHEMBL1940053) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1 Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cAMP from PDE4B2 by competitive binding assay				Bioorg Med Chem Lett 22: 235-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.023 BindingDB Entry DOI: 10.7270/Q2862GWC
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM50362043 (CHEMBL1940053) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1 Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cAMP from PDE3A by competitive binding assay				Bioorg Med Chem Lett 22: 235-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.023 BindingDB Entry DOI: 10.7270/Q2862GWC
					More data for this Ligand-Target Pair
Phosphodiesterase 9A (Homo sapiens (Human))	BDBM50362043 (CHEMBL1940053) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1 Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cAMP from PDE9A1 by competitive binding assay				Bioorg Med Chem Lett 22: 235-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.023 BindingDB Entry DOI: 10.7270/Q2862GWC
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM50362043 (CHEMBL1940053) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1 Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cAMP from PDE1A3 by competitive binding assay				Bioorg Med Chem Lett 22: 235-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.023 BindingDB Entry DOI: 10.7270/Q2862GWC
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50362043 (CHEMBL1940053) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1 Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cAMP from PDE2A by competitive binding assay				Bioorg Med Chem Lett 22: 235-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.023 BindingDB Entry DOI: 10.7270/Q2862GWC
					More data for this Ligand-Target Pair