BDBM50397093 CHEMBL2171655

SMILES: COc1ccc(cc1OCc1ccc(cc1)C#N)C1=NN(C(C)C)C(=O)C1(C)C

InChI Key: InChIKey=FYUKXPVHRYCFEI-UHFFFAOYSA-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 = 50397093   

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)	BDBM50397093 (CHEMBL2171655) Show SMILES COc1ccc(cc1OCc1ccc(cc1)C#N)C1=NN(C(C)C)C(=O)C1(C)C |t:20| Show InChI InChI=1S/C23H25N3O3/c1-15(2)26-22(27)23(3,4)21(25-26)18-10-11-19(28-5)20(12-18)29-14-17-8-6-16(13-24)7-9-17/h6-12,15H,14H2,1-5H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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
					More data for this Ligand-Target Pair