BDBM50017335 CHEMBL3288024

SMILES: C[C@H]1CN(Cc2cc(ccc2O)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)n(C)n3)c2)C[C@@H](C)N1

InChI Key: InChIKey=GMTGEEMBGWOFAJ-JFAUGGILSA-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 = 50017335   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50017335 (CHEMBL3288024) Show SMILES C[C@H]1CN(Cc2cc(ccc2O)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)n(C)n3)c2)C[C@@H](C)N1 |r,wU:46.51,1.0,31.36,28.29,(17.3,-40.69,;17.31,-39.15,;16,-38.38,;16.01,-36.85,;14.65,-36.13,;13.33,-36.91,;11.99,-36.15,;10.67,-36.93,;10.67,-38.47,;12.01,-39.23,;13.34,-38.46,;14.68,-39.22,;9.33,-36.17,;8,-36.95,;6.66,-36.18,;6.66,-34.64,;7.99,-33.87,;7.99,-32.33,;6.65,-31.56,;5.32,-32.33,;3.97,-31.56,;3.98,-30.01,;2.64,-29.24,;5.31,-29.24,;6.65,-30,;7.98,-29.23,;7.97,-27.69,;9.32,-29.99,;10.65,-29.22,;11.99,-29.99,;13.32,-29.23,;13.32,-27.68,;11.98,-26.91,;10.65,-27.69,;14.66,-26.91,;16,-27.68,;16,-29.23,;17.22,-26.73,;17.17,-25.21,;18.62,-24.69,;19.05,-23.21,;19.56,-25.91,;21.1,-25.86,;18.7,-27.18,;9.32,-34.63,;17.33,-36.08,;18.66,-36.86,;20,-36.1,;18.65,-38.4,)| Show InChI InChI=1S/C37H44FN7O4/c1-22-19-45(20-23(2)40-22)21-27-15-26(8-13-34(27)46)25-6-5-7-31(16-25)49-37-32(17-28(38)18-39-37)35(47)41-29-9-11-30(12-10-29)42-36(48)33-14-24(3)44(4)43-33/h5-8,13-18,22-23,29-30,40,46H,9-12,19-21H2,1-4H3,(H,41,47)(H,42,48)/t22-,23+,29-,30+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis				J Med Chem 57: 4661-76 (2014) Article DOI: 10.1021/jm5001216 BindingDB Entry DOI: 10.7270/Q2708302
					More data for this Ligand-Target Pair