BDBM50242159 CHEMBL4084966

SMILES: COc1ccc(CNc2c3CN(CCc3nc3ccc(C)cc23)C(C)=O)cc1Cl

InChI Key: InChIKey=LZXZHVDJFYPGJX-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 = 50242159   

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
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50242159 (CHEMBL4084966) Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(C)cc23)C(C)=O)cc1Cl Show InChI InChI=1S/C23H24ClN3O2/c1-14-4-6-20-17(10-14)23(18-13-27(15(2)28)9-8-21(18)26-20)25-12-16-5-7-22(29-3)19(24)11-16/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,25,26)	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of gastric H+/K+ ATPase				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair