BDBM50284077 CHEMBL4165176

SMILES: Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(F)c(Br)c1)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(F)c(Br)c1

InChI Key: InChIKey=JZBYYGGLNOTWLD-ILMCGJENSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50284077   

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
beta-Glucuronidase (β-glucuronidase) (Homo sapiens (Human))	BDBM50284077 (CHEMBL4165176) Show SMILES Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(F)c(Br)c1)c1c[nH]c2ccc(cc12)C(=O)N\N=C\c1ccc(F)c(Br)c1 Show InChI InChI=1S/C40H28Br2F2N6O2/c1-22-2-6-25(7-3-22)38(30-20-45-36-12-8-26(16-28(30)36)39(51)49-47-18-23-4-10-34(43)32(41)14-23)31-21-46-37-13-9-27(17-29(31)37)40(52)50-48-19-24-5-11-35(44)33(42)15-24/h2-21,38,45-46H,1H3,(H,49,51)(H,50,52)/b47-18+,48-19+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+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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