BDBM50150124 CHEMBL3771078

SMILES: [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Cc3ccc(F)cc3)n(Cc3ccc(cc3)-c3cccc(F)n3)nc12

InChI Key: InChIKey=KUPUBLOJLYEZET-RPWUZVMVSA-N

Data: 1 KI

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 = 50150124   

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 4A (Homo sapiens (Human))	BDBM50150124 (CHEMBL3771078) Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Cc3ccc(F)cc3)n(Cc3ccc(cc3)-c3cccc(F)n3)nc12 |r,c:9| Show InChI InChI=1S/C30H26F2N6O/c1-36-29(39)27-25(16-18-10-14-21(31)15-11-18)37(35-28(27)38-24-6-2-5-23(24)34-30(36)38)17-19-8-12-20(13-9-19)22-4-3-7-26(32)33-22/h3-4,7-15,23-24H,2,5-6,16-17H2,1H3/t23-,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full lenght human PDE4A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay				J Med Chem 59: 1149-64 (2016) BindingDB Entry DOI: 10.7270/Q2X068W7
					More data for this Ligand-Target Pair