BDBM104020 MK181

SMILES: c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)Br

InChI Key: InChIKey=PAOIFRPAIJVWIK-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 104020   

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)	BDBM104020 (MK181) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	710	n/a	n/a	n/a	n/a	7.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Human)	BDBM104020 (MK181) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	710	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 B10 (Human)	BDBM104020 (MK181) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.50E+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 B10 (Human)	BDBM104020 (MK181) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.70E+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 B10 [K125R,V301L] (Human)	BDBM104020 (MK181) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.02E+4	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)	BDBM104020 (MK181) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair