Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' and Ligand = 'BDBM50031263'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine deaminase (Bos taurus (bovine))	BDBM50031263 (CHEMBL129891 | [5-(5-Chloro-7-cyclopentylamino-imi...) Show SMILES OCC1CCC(O1)n1cnc2c(NC3CCCC3)cc(Cl)nc12 Show InChI InChI=1S/C16H21ClN4O2/c17-13-7-12(19-10-3-1-2-4-10)15-16(20-13)21(9-18-15)14-6-5-11(8-22)23-14/h7,9-11,14,22H,1-6,8H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Inhibition calf intestine adenosine deaminase				J Med Chem 38: 4019-25 (1995) BindingDB Entry DOI: 10.7270/Q2RB757R
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