BDBM104023 MK257

SMILES: OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(I)cc1

InChI Key: InChIKey=UQSRSOSZBNAGEM-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 = 104023   

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))	BDBM104023 (MK257) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(I)cc1 Show InChI InChI=1S/C16H13ClINO4/c17-11-3-6-13(14(7-11)23-9-15(20)21)16(22)19-8-10-1-4-12(18)5-2-10/h1-7H,8-9H2,(H,19,22)(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.90E+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)