BDBM207992 ML349

SMILES: COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1

InChI Key: InChIKey=YVIJPELUPZUEJX-UHFFFAOYSA-N

Data: 18 KI  4 IC50  2 Kd

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 23 hits for monomerid = 207992   

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
Acyl-protein thioesterase 2 [S122A] (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+3	160	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 (Human)	BDBM207992 (ML349) 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
Acyl-protein thioesterase 2 (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10E+3	240	n/a	n/a	n/a	n/a	25
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Pyridoxal kinase (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		120	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
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					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 [P86Q] (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		130	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
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					More data for this Ligand-Target Pair
Acyl-protein thioesterase 1 [I75L,S82A,Q83P,R149H,A150R,S151A] (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		180	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 [M178L] (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		200	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 1 [I75L,S82A] (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		280	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 1 [I75L] (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		370	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
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					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 [H152R] (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		660	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 1 [I75L,S82A,Q83P] (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 1 (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 [L78I] (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 [L78I,A85S,P86Q,H152R,R153A,A154S] (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 [L78I,A85S,P86Q] (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 2 [L78I,A85S] (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 1 (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 1 [Q83P] (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acyl-protein thioesterase 1 [L176M] (Human)	BDBM207992 (ML349) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair