BDBM200222 2-(2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl)acetic acid::JF0049

SMILES: COc1c(Br)c(Br)c(Br)c(Br)c1Cn1c(=O)ccn(CC(O)=O)c1=O

InChI Key: InChIKey=PNUIJCFYKFVAMT-UHFFFAOYSA-N

Data: 1 IC50

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 = 200222   

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
Methylated AKR1B10 K125R/V301L (AKME2MU) (Homo sapiens (Human))	BDBM200222 (2-(2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl...) Show SMILES COc1c(Br)c(Br)c(Br)c(Br)c1Cn1c(=O)ccn(CC(O)=O)c1=O Show InChI InChI=1S/C14H10Br4N2O5/c1-25-13-6(9(15)10(16)11(17)12(13)18)4-20-7(21)2-3-19(14(20)24)5-8(22)23/h2-3H,4-5H2,1H3,(H,22,23)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)