BDBM50148255 CHEMBL3765786

SMILES: [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCc2ccc(OC)cc2)c1

InChI Key: InChIKey=ICNQXRPNLGFCCN-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 = 50148255   

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)	BDBM50148255 (CHEMBL3765786) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCc2ccc(OC)cc2)c1 |r,c:3,9| Show InChI InChI=1S/C31H38N2O4/c1-35-25-16-13-22(14-17-25)19-20-37-29-21-23(15-18-28(29)36-2)30-26-11-7-8-12-27(26)31(34)33(32-30)24-9-5-3-4-6-10-24/h7-8,13-18,21,24,26-27H,3-6,9-12,19-20H2,1-2H3/t26-,27+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	63	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