BDBM50148251 CHEMBL3765225

SMILES: [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCc2cc(OC)cc(OC)c2)c1

InChI Key: InChIKey=OYFYIJJRNLFDBQ-RRPNLBNLSA-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 = 50148251   

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)	BDBM50148251 (CHEMBL3765225) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCc2cc(OC)cc(OC)c2)c1 |r,c:3,9| Show InChI InChI=1S/C31H38N2O5/c1-35-24-16-21(17-25(19-24)36-2)20-38-29-18-22(14-15-28(29)37-3)30-26-12-8-9-13-27(26)31(34)33(32-30)23-10-6-4-5-7-11-23/h8-9,14-19,23,26-27H,4-7,10-13,20H2,1-3H3/t26-,27+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair