BDBM50150122 CHEMBL3769754

SMILES: [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Sc3ccccc3)n(Cc3ccc(cc3)-c3cccc(F)n3)nc12

InChI Key: InChIKey=UUDXWZNIEMXNPC-PKTZIBPZSA-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 = 50150122   

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))	BDBM50150122 (CHEMBL3769754) Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Sc3ccccc3)n(Cc3ccc(cc3)-c3cccc(F)n3)nc12 |r,c:9| Show InChI InChI=1S/C29H25FN6OS/c1-34-27(37)25-26(36-23-11-5-10-22(23)32-29(34)36)33-35(28(25)38-20-7-3-2-4-8-20)17-18-13-15-19(16-14-18)21-9-6-12-24(30)31-21/h2-4,6-9,12-16,22-23H,5,10-11,17H2,1H3/t22-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	930	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