BDBM104025 MK409

SMILES: OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)cc(I)cc1F

InChI Key: InChIKey=CVVNVYYIZYRUDK-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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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 = 104025   

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
Aldose reductase (AR) (Homo sapiens (Human))	BDBM104025 (MK409) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)cc(I)cc1F Show InChI InChI=1S/C16H11ClF2INO4/c17-8-1-2-10(14(3-8)25-7-15(22)23)16(24)21-6-11-12(18)4-9(20)5-13(11)19/h1-5H,6-7H2,(H,21,24)(H,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	7.0	25
Academy of Sciences of the Czech Republic					Assay Description The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...				ACS Chem Biol 8: 2484-92 (2013) Article DOI: 10.1021/cb400526n BindingDB Entry DOI: 10.7270/Q2HH6HQB
					More data for this Ligand-Target Pair				3D Structure (crystal)