BDBM50052018 3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid::CHEMBL313489::MK-591::Sodium; 3-[3-tert-butylsulfanyl-1-(4-chloro-benzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionate

SMILES: CC(C)(C)Sc1c(CC(C)(C)C([O-])=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12

InChI Key: InChIKey=NZOONKHCNQFYCI-UHFFFAOYSA-M

Data: 12 IC50

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 12 hits for monomerid = 50052018   

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
Arachidonate 5-lipoxygenase-activating protein (Human)	BDBM50052018 (MK-591 | Sodium; 3-[3-tert-butylsulfanyl-1-(4-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Human)	BDBM50052018 (MK-591 | Sodium; 3-[3-tert-butylsulfanyl-1-(4-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Human)	BDBM50052018 (MK-591 | Sodium; 3-[3-tert-butylsulfanyl-1-(4-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Human)	BDBM50052018 (MK-591 | Sodium; 3-[3-tert-butylsulfanyl-1-(4-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Human)	BDBM50052018 (MK-591 | Sodium; 3-[3-tert-butylsulfanyl-1-(4-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Human)	BDBM50052018 (MK-591 | Sodium; 3-[3-tert-butylsulfanyl-1-(4-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Rat)	BDBM50052018 (MK-591 | Sodium; 3-[3-tert-butylsulfanyl-1-(4-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Human)	BDBM50052018 (MK-591 | Sodium; 3-[3-tert-butylsulfanyl-1-(4-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	536	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Human)	BDBM50052018 (MK-591 | Sodium; 3-[3-tert-butylsulfanyl-1-(4-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Rat)	BDBM50052018 (MK-591 | Sodium; 3-[3-tert-butylsulfanyl-1-(4-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Human)	BDBM50052018 (MK-591 | Sodium; 3-[3-tert-butylsulfanyl-1-(4-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM50052018 (MK-591 | Sodium; 3-[3-tert-butylsulfanyl-1-(4-chlo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair