BDBM50006805 3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid::3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid::3-[1-(4-chlorobenzyl)-3-t-butyl-thio-5-isopropylindol-2-yl]-2,2-dimethylpropanoic acid::3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indol-2-yl]-2,2-dimethyl-propionic acid::CHEMBL29097::MK-886::MK886::cid_3651377

SMILES: CC(C)c1ccc2c(c1)c(c(n2Cc3ccc(cc3)Cl)CC(C)(C)C(=O)O)SC(C)(C)C

InChI Key: InChIKey=QAOAOVKBIIKRNL-UHFFFAOYSA-N

Data: 67 IC50  2 EC50

PDB links: 1 PDB ID matches 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 69 hits for monomerid = 50006805   

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
Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	60	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) 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
Prostaglandin G/H synthase 1 (Sheep)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) 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
Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+3	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	23	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 (Rat)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30E+3	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	27	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+3	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	19	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.40E+3	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Macrophage-expressed gene 1 protein (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40E+3	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+3	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.30E+3	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Sheep)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Sheep)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.00E+3	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.5	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.5	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) 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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	23	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)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Sheep)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Human)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50006805 (CHEMBL29097 | 3-(3-(tert-butylthio)-1-(4-chloroben...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair