BDBM50397094 CHEMBL2171654

SMILES: COc1ccc(cc1Br)C1=NN(C2CCCCCC2)C(=O)C1(C)C

InChI Key: InChIKey=DLYQAQQNAWYKRE-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50397094   

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
Class I phosphodiesterase B1 (TbrPDEB1) (Trypanosoma brucei)	BDBM50397094 (CHEMBL2171654) Show SMILES COc1ccc(cc1Br)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:10| Show InChI InChI=1S/C19H25BrN2O2/c1-19(2)17(13-10-11-16(24-3)15(20)12-13)21-22(18(19)23)14-8-6-4-5-7-9-14/h10-12,14H,4-9H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...				J Med Chem 55: 8745-56 (2012) Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96
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