BDBM50017337 CHEMBL3288026

SMILES: C[C@H]1CN(Cc2cccc(c2O)-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=NHMOUBDVWKKDSJ-FKYXBBJVSA-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 = 50017337   

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))	BDBM50017337 (CHEMBL3288026) Show SMILES C[C@H]1CN(Cc2cccc(c2O)-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,(20.28,-61.8,;20.29,-60.27,;18.98,-59.49,;18.99,-57.96,;17.63,-57.24,;16.31,-58.02,;16.32,-59.57,;14.99,-60.35,;13.65,-59.59,;13.65,-58.04,;14.97,-57.26,;14.96,-55.73,;12.31,-57.28,;10.97,-58.06,;9.64,-57.29,;9.64,-55.75,;10.97,-54.98,;10.97,-53.44,;9.63,-52.67,;8.29,-53.44,;6.95,-52.67,;6.95,-51.12,;5.62,-50.35,;8.29,-50.35,;9.63,-51.11,;10.96,-50.34,;10.95,-48.8,;12.3,-51.1,;13.63,-50.33,;14.97,-51.1,;16.3,-50.34,;16.3,-48.79,;14.96,-48.02,;13.62,-48.8,;17.64,-48.02,;18.98,-48.79,;18.98,-50.34,;20.2,-47.84,;20.15,-46.32,;21.6,-45.8,;22.03,-44.32,;22.54,-47.02,;24.08,-46.97,;21.68,-48.29,;12.3,-55.74,;20.31,-57.19,;21.64,-57.97,;22.98,-57.21,;21.63,-59.51,)| Show InChI InChI=1S/C37H44FN7O4/c1-22-19-45(20-23(2)40-22)21-26-8-6-10-31(34(26)46)25-7-5-9-30(16-25)49-37-32(17-27(38)18-39-37)35(47)41-28-11-13-29(14-12-28)42-36(48)33-15-24(3)44(4)43-33/h5-10,15-18,22-23,28-29,40,46H,11-14,19-21H2,1-4H3,(H,41,47)(H,42,48)/t22-,23+,28-,29+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0794	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