BDBM50017307 CHEMBL3287994

SMILES: Cc1cccc(n1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1

InChI Key: InChIKey=CBTXIBGWNHIYEA-ISILISOKSA-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 = 50017307   

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))	BDBM50017307 (CHEMBL3287994) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1 |r,wU:10.10,13.17,(21.13,-24.41,;19.8,-23.64,;19.81,-22.1,;18.47,-21.33,;17.14,-22.1,;17.15,-23.63,;18.47,-24.4,;15.82,-24.4,;15.82,-25.94,;14.49,-23.62,;13.14,-24.4,;13.14,-25.94,;11.81,-26.71,;10.47,-25.93,;10.47,-24.4,;11.81,-23.62,;9.14,-26.71,;7.8,-25.94,;7.8,-24.4,;6.47,-26.72,;5.13,-25.96,;3.8,-26.72,;2.46,-25.96,;3.8,-28.27,;5.14,-29.05,;6.48,-28.27,;7.81,-29.04,;7.81,-30.58,;6.48,-31.35,;6.48,-32.89,;7.82,-33.67,;9.16,-32.88,;9.15,-31.34,;10.49,-33.64,;10.5,-35.19,;11.83,-35.95,;13.17,-35.17,;14.51,-35.93,;13.15,-33.62,;11.81,-32.86,;11.8,-31.32,;13.13,-30.54,;13.01,-29.01,;14.13,-27.96,;15.65,-28.17,;16.43,-29.49,;15.88,-30.93,;14.41,-31.4,)| Show InChI InChI=1S/C37H40FN5O5/c1-24-5-2-8-34(40-24)36(46)42-29-11-9-28(10-12-29)41-35(45)33-21-27(38)22-39-37(33)48-31-7-3-6-25(20-31)32-14-13-30(44)19-26(32)23-43-15-4-17-47-18-16-43/h2-3,5-8,13-14,19-22,28-29,44H,4,9-12,15-18,23H2,1H3,(H,41,45)(H,42,46)/t28-,29+	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