BDBM50318136 (R)-3-methyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine::CHEMBL1098752

SMILES: C[C@@H]1CN(CCN1)c1nc(Nc2ccncn2)c2n(CCOCC(F)(F)F)nc(C)c2n1

InChI Key: InChIKey=NXDWVPHCXAJSKA-GFCCVEGCSA-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 = 50318136   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50318136 ((R)-3-methyl-5-(3-methylpiperazin-1-yl)-N-(pyrimid...) Show SMILES C[C@@H]1CN(CCN1)c1nc(Nc2ccncn2)c2n(CCOCC(F)(F)F)nc(C)c2n1 |r| Show InChI InChI=1S/C19H24F3N9O/c1-12-9-30(6-5-24-12)18-27-15-13(2)29-31(7-8-32-10-19(20,21)22)16(15)17(28-18)26-14-3-4-23-11-25-14/h3-4,11-12,24H,5-10H2,1-2H3,(H,23,25,26,27,28)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG expressed by patch clam electrophysiology assay				Bioorg Med Chem Lett 20: 3125-8 (2010) Article DOI: 10.1016/j.bmcl.2010.03.106 BindingDB Entry DOI: 10.7270/Q2WH2QXD
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50318136 ((R)-3-methyl-5-(3-methylpiperazin-1-yl)-N-(pyrimid...) Show SMILES C[C@@H]1CN(CCN1)c1nc(Nc2ccncn2)c2n(CCOCC(F)(F)F)nc(C)c2n1 |r| Show InChI InChI=1S/C19H24F3N9O/c1-12-9-30(6-5-24-12)18-27-15-13(2)29-31(7-8-32-10-19(20,21)22)16(15)17(28-18)26-14-3-4-23-11-25-14/h3-4,11-12,24H,5-10H2,1-2H3,(H,23,25,26,27,28)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 20: 3125-8 (2010) Article DOI: 10.1016/j.bmcl.2010.03.106 BindingDB Entry DOI: 10.7270/Q2WH2QXD
					More data for this Ligand-Target Pair