Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine deaminase' and Ligand = 'BDBM50012527'   

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))	BDBM50012527 (CHEMBL3142249 | N-[3-(4-p-Tolyloxy-5-p-tolyloxymet...) Show SMILES Cc1ccc(OC[C@H]2O[C@H](C[C@@H]2Oc2ccc(C)cc2)n2cnc3c(NO)ccnc23)cc1 |r| Show InChI InChI=1S/C25H26N4O4/c1-16-3-7-18(8-4-16)31-14-22-21(32-19-9-5-17(2)6-10-19)13-23(33-22)29-15-27-24-20(28-30)11-12-26-25(24)29/h3-12,15,21-23,30H,13-14H2,1-2H3,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Compound was tested for the inhibition of Adenosine deaminase from calf intestine.				J Med Chem 34: 2226-30 (1991) BindingDB Entry DOI: 10.7270/Q2CZ37S1
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