BDBM50397842 CHEMBL2179101

SMILES: C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1

InChI Key: InChIKey=JBTGYAXCRIIETN-RDTXWAMCSA-N

Data: 2 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 2 hits for monomerid = 50397842   

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 9A (Homo sapiens (Human))	BDBM50397842 (CHEMBL2179101) Show SMILES C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C21H26N6O2/c1-14-11-26(12-15-4-2-3-7-22-15)13-18(14)19-24-20-17(21(28)25-19)10-23-27(20)16-5-8-29-9-6-16/h2-4,7,10,14,16,18H,5-6,8-9,11-13H2,1H3,(H,24,25,28)/t14-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay				J Med Chem 55: 9045-54 (2012) Article DOI: 10.1021/jm3007799 BindingDB Entry DOI: 10.7270/Q24J0G79
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C (Homo sapiens (Human))	BDBM50397842 (CHEMBL2179101) Show SMILES C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |r| Show InChI InChI=1S/C21H26N6O2/c1-14-11-26(12-15-4-2-3-7-22-15)13-18(14)19-24-20-17(21(28)25-19)10-23-27(20)16-5-8-29-9-6-16/h2-4,7,10,14,16,18H,5-6,8-9,11-13H2,1H3,(H,24,25,28)/t14-,18-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay				J Med Chem 55: 9045-54 (2012) Article DOI: 10.1021/jm3007799 BindingDB Entry DOI: 10.7270/Q24J0G79
					More data for this Ligand-Target Pair