BDBM228820 2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid (6)

SMILES: OC(=O)COc1cc(F)ccc1C(=O)Nc1ccccc1

InChI Key: InChIKey=YEPWCTBSDKUKGO-UHFFFAOYSA-N

Data: 1 Kd  2 ITC

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 = 228820   

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))	BDBM228820 (2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...) Show SMILES OC(=O)COc1cc(F)ccc1C(=O)Nc1ccccc1 Show InChI InChI=1S/C15H12FNO4/c16-10-6-7-12(13(8-10)21-9-14(18)19)15(20)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)(H,18,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.50E+3	n/a	n/a	n/a	8.5	n/a
Philipps-Universität Marburg					Assay Description The anti-His antibody (His Capture Kit, GE Healthcare) was immobilized on sensor chip CM5 (GE Healthcare), in a Biacore T200 or Biacore S200 instrume...				ACS Chem Biol 12: 1397-1415 (2017) Article DOI: 10.1021/acschembio.7b00062 BindingDB Entry DOI: 10.7270/Q2416VXX
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 228820

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Aldose reductase (AR) (Homo sapiens (Human))	BDBM228820 (2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...)	GoogleScholar PDB	PC cid PC sid		-7.00	-0.142	-7.14	8.12	8	24.9
Philipps-Universität Marburg					ACS Chem Biol 12: 1397-1415 (2017)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM228820 (2-(2-(Benzylcarbamoyl)-5-fluorophenoxy)acetic acid...)	GoogleScholar PDB	PC cid PC sid		-6.88	-0.427	-7.31	8.04	8	24.9
Philipps-Universität Marburg					ACS Chem Biol 12: 1397-1415 (2017)