BDBM98891 US8497265, 217::US8497265, 239

SMILES: OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1

InChI Key: InChIKey=VIXNRMUNIQTMQR-UHFFFAOYSA-N

Data: 13 IC50

PDB links: 1 PDB ID matches this monomer.

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 13 hits for monomerid = 98891   

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 Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM98891 (US8497265, 217 | US8497265, 239) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).				US Patent US8497265 (2013) BindingDB Entry DOI: 10.7270/Q2VD6X39
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM98891 (US8497265, 217 | US8497265, 239) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	23.3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).				US Patent US8497265 (2013) BindingDB Entry DOI: 10.7270/Q2VD6X39
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98891 (US8497265, 217 | US8497265, 239) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE10A using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM98891 (US8497265, 217 | US8497265, 239) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE10A2 using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase 11A (PDE11A) (Homo sapiens (Human))	BDBM98891 (US8497265, 217 | US8497265, 239) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE11A4 using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM98891 (US8497265, 217 | US8497265, 239) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE1B using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair
Phosphodiesterase 9A (Homo sapiens (Human))	BDBM98891 (US8497265, 217 | US8497265, 239) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE9A2 using FAM-cGMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM98891 (US8497265, 217 | US8497265, 239) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE3A using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM98891 (US8497265, 217 | US8497265, 239) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE4D2 using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM98891 (US8497265, 217 | US8497265, 239) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE5A using FAM-cGMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair
Phosphodiesterase 7 (Homo sapiens (Human))	BDBM98891 (US8497265, 217 | US8497265, 239) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair
Phosphodiesterase 8 (Homo sapiens (Human))	BDBM98891 (US8497265, 217 | US8497265, 239) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE8A1 using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM98891 (US8497265, 217 | US8497265, 239) Show SMILES OCC1CCN(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C22H25N5O2/c28-15-16-7-11-26(12-8-16)21-22(24-10-9-23-21)29-18-13-27(14-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-6,9-10,16,18,28H,7-8,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE2A1 using FAM-cAMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
					More data for this Ligand-Target Pair