BDBM16313 2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioyl}-5-fluorophenoxy)acetic acid::CHEMBL395347::IDD 594::IDD594::LdT::{2-[(4-bromo-2-fluorobenzyl)carbamothioyl]-5-fluorophenoxy}acetic acid

SMILES: c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br

InChI Key: InChIKey=JCZUIWYXULSXSW-UHFFFAOYSA-N

Data: 5 IC50  1 ITC

PDB links: 17 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 5 hits for monomerid = 16313   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aldo-keto reductase family 1 member B1 (Human)	BDBM16313 (IDD594 | LdT | CHEMBL395347 | {2-[(4-bromo-2-fluor...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16313 (IDD594 | LdT | CHEMBL395347 | {2-[(4-bromo-2-fluor...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16313 (IDD594 | LdT | CHEMBL395347 | {2-[(4-bromo-2-fluor...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Human)	BDBM16313 (IDD594 | LdT | CHEMBL395347 | {2-[(4-bromo-2-fluor...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM16313 (IDD594 | LdT | CHEMBL395347 | {2-[(4-bromo-2-fluor...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair