BDBM50404652 CHEMBL2114367

SMILES: CCCCCC[C@H]([C@@H](C)O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=IOSAAWHGJUZBOG-GHMZBOCLSA-N

Data: 1 KI

PDB links: 2 PDB IDs match this monomer.

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 = 50404652   

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
Adenosine deaminase (Homo sapiens (Human))	BDBM50404652 (CHEMBL2114367) Show SMILES CCCCCC[C@H]([C@@H](C)O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of adenosine deaminase				J Med Chem 24: 1383-5 (1982) BindingDB Entry DOI: 10.7270/Q22N52T8
					More data for this Ligand-Target Pair				3D Structure (crystal)