US11026923, Example 127 5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1- methylpropyl]-N-[(2-methyltetrazol-5- yl)methyl]pyrazolo[4,3-b]pyridin-7-amine, enantiomer 2

SMILES: CCOc1ncccc1-c1cc(NCc2nnn(C)n2)c(NC(C)CC)c(n1)C(C)=N

InChI Key: InChIKey=KPXIVBJCVBNAQF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 501497   

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
Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A (Homo sapiens (Human))	BDBM501497 (5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1- methylpropyl...) Show SMILES CCOc1ncccc1-c1cc(NCc2nnn(C)n2)c(NC(C)CC)c(n1)C(C)=N Show InChI InChI=1S/C21H29N9O/c1-6-13(3)25-20-17(24-12-18-27-29-30(5)28-18)11-16(26-19(20)14(4)22)15-9-8-10-23-21(15)31-7-2/h8-11,13,22,25H,6-7,12H2,1-5H3,(H,24,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 uL samples containing a fixed amount of the PDE1 enzyme (suff...				US Patent US11026923 (2021)
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C (Homo sapiens (Human))	BDBM501497 (5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1- methylpropyl...) Show SMILES CCOc1ncccc1-c1cc(NCc2nnn(C)n2)c(NC(C)CC)c(n1)C(C)=N Show InChI InChI=1S/C21H29N9O/c1-6-13(3)25-20-17(24-12-18-27-29-30(5)28-18)11-16(26-19(20)14(4)22)15-9-8-10-23-21(15)31-7-2/h8-11,13,22,25H,6-7,12H2,1-5H3,(H,24,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 uL samples containing a fixed amount of the PDE1 enzyme (suff...				US Patent US11026923 (2021)
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM501497 (5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1- methylpropyl...) Show SMILES CCOc1ncccc1-c1cc(NCc2nnn(C)n2)c(NC(C)CC)c(n1)C(C)=N Show InChI InChI=1S/C21H29N9O/c1-6-13(3)25-20-17(24-12-18-27-29-30(5)28-18)11-16(26-19(20)14(4)22)15-9-8-10-23-21(15)31-7-2/h8-11,13,22,25H,6-7,12H2,1-5H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 uL samples containing a fixed amount of the PDE1 enzyme (suff...				US Patent US11026923 (2021)
					More data for this Ligand-Target Pair