BDBM50397106 CHEMBL2171660

SMILES: COc1ccc(cc1OC1CCCC1)C1=NN(C2CCCCCC2)C(=O)C1(C)C

InChI Key: InChIKey=MDEBQDIFTFRECC-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 50397106   

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)	BDBM50397106 (CHEMBL2171660) Show SMILES COc1ccc(cc1OC1CCCC1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:16| Show InChI InChI=1S/C24H34N2O3/c1-24(2)22(25-26(23(24)27)18-10-6-4-5-7-11-18)17-14-15-20(28-3)21(16-17)29-19-12-8-9-13-19/h14-16,18-19H,4-13H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	410	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				3D Structure (crystal)