BDBM50150241 CHEMBL3770585

SMILES: [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c1nn(Cc1ccc(cc1)S(C)(=O)=O)c2Nc1ccccc1

InChI Key: InChIKey=GDTCOIJFWPQJOS-UXHICEINSA-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 = 50150241   

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))	BDBM50150241 (CHEMBL3770585) Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c1nn(Cc1ccc(cc1)S(C)(=O)=O)c2Nc1ccccc1 |r,c:9| Show InChI InChI=1S/C25H26N6O3S/c1-29-24(32)21-22(26-17-7-4-3-5-8-17)30(15-16-11-13-18(14-12-16)35(2,33)34)28-23(21)31-20-10-6-9-19(20)27-25(29)31/h3-5,7-8,11-14,19-20,26H,6,9-10,15H2,1-2H3/t19-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	65	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