Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-glucuronidase' and Ligand = 'BDBM50284051'   

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
Beta-glucuronidase (Homo sapiens (Human))	BDBM50284051 (CHEMBL4160282) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccccn1)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccccn1 Show InChI InChI=1S/C38H30N8O2/c1-24-8-10-25(11-9-24)36(32-22-41-34-14-12-26(18-30(32)34)37(47)45-43-20-28-6-2-4-16-39-28)33-23-42-35-15-13-27(19-31(33)35)38(48)46-44-21-29-7-3-5-17-40-29/h2-23,36,41-42H,1H3,(H,45,47)(H,46,48)/b43-20+,44-21+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Imam Abdulrahman Bin Faisal University Curated by ChEMBL					Assay Description Inhibition of human beta-glucuronidase				Eur J Med Chem 143: 1757-1767 (2018) Article DOI: 10.1016/j.ejmech.2017.10.071 BindingDB Entry DOI: 10.7270/Q23N25X1
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