BDBM50119829 CHEMBL104969::[3-(6-Amino-purin-9-yl)-propoxy]-acetic acid

SMILES: Nc1ncnc2n(CCCOCC(O)=O)cnc12

InChI Key: InChIKey=FKQCJYCSHIYYNP-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 = 50119829   

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
Adenylate cyclase (Homo sapiens (Human))	BDBM50119829 (CHEMBL104969 | [3-(6-Amino-purin-9-yl)-propoxy]-ac...) Show SMILES Nc1ncnc2n(CCCOCC(O)=O)cnc12 Show InChI InChI=1S/C10H13N5O3/c11-9-8-10(13-5-12-9)15(6-14-8)2-1-3-18-4-7(16)17/h5-6H,1-4H2,(H,16,17)(H2,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.41E+5	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells				Bioorg Med Chem Lett 12: 3085-8 (2002) BindingDB Entry DOI: 10.7270/Q2XW4J5B
					More data for this Ligand-Target Pair