BDBM50148240 CHEMBL3763271

SMILES: [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)C(O)=O)c1

InChI Key: InChIKey=NZTAZJDYGSXAMS-WUFINQPMSA-N

Data: 2 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 2 hits for monomerid = 50148240   

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)	BDBM50148240 (CHEMBL3763271) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)C(O)=O)c1 |r,c:3,9| Show InChI InChI=1S/C33H40N2O6/c1-39-29-19-16-24(22-30(29)41-21-9-8-20-40-26-17-14-23(15-18-26)33(37)38)31-27-12-6-7-13-28(27)32(36)35(34-31)25-10-4-2-3-5-11-25/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,37,38)/t27-,28+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	316	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
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50148240 (CHEMBL3763271) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)C(O)=O)c1 |r,c:3,9| Show InChI InChI=1S/C33H40N2O6/c1-39-29-19-16-24(22-30(29)41-21-9-8-20-40-26-17-14-23(15-18-26)33(37)38)31-27-12-6-7-13-28(27)32(36)35(34-31)25-10-4-2-3-5-11-25/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,37,38)/t27-,28+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay				Bioorg Med Chem 24: 1573-81 (2016) BindingDB Entry DOI: 10.7270/Q22V2J07
					More data for this Ligand-Target Pair