BDBM50237791 CHEMBL1628659::SCH-51866

SMILES: [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2[nH]c(Cc3ccc(cc3)C(F)(F)F)nc12

InChI Key: InChIKey=JOSMPBVYYKRYLG-OLZOCXBDSA-N

Data: 1 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 1 hit for monomerid = 50237791   

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 2 and 5 (PDE2 and PDE5) (Homo sapiens (Human))	BDBM50237791 (CHEMBL1628659 | SCH-51866) Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2[nH]c(Cc3ccc(cc3)C(F)(F)F)nc12 |r,c:9| Show InChI InChI=1S/C19H18F3N5O/c1-26-17(28)15-16(27-13-4-2-3-12(13)23-18(26)27)25-14(24-15)9-10-5-7-11(8-6-10)19(20,21)22/h5-8,12-13H,2-4,9H2,1H3,(H,24,25)/t12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human calpain 1				J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3
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