BDBM50381310 CHEMBL2019124

SMILES: COc1cc(ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1)-c1cn[nH]c1

InChI Key: InChIKey=MBUCVFLNVMXMLL-UHFFFAOYSA-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 = 50381310   

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
Phosphodiesterase 7 (Homo sapiens (Human))	BDBM50381310 (CHEMBL2019124) Show SMILES COc1cc(ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C21H21N5O2S/c1-28-16-9-13(14-10-22-23-11-14)7-8-15(16)19-24-20(27)17-18(26-29-21(17)25-19)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,22,23)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Displacement of [3H]-cAMP from human recombinant PDE7A				Bioorg Med Chem Lett 22: 3223-8 (2012) Article DOI: 10.1016/j.bmcl.2012.03.025 BindingDB Entry DOI: 10.7270/Q2NP25F2
					More data for this Ligand-Target Pair