BDBM96235 4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-coumarilic acid ethyl ester;hydrochloride::4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-2-benzofurancarboxylic acid ethyl ester;hydrochloride::CHEMBL53849::MLS000039218::Non peptidic, 1::SMR000036354::cid_6602742::ethyl 3-methyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-carboxylate;hydrochloride::ethyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1-benzofuran-2-carboxylate;hydrochloride

SMILES: CCOC(=O)c1c(c2c(o1)cccc2OC[C@H](CNC(C)C)O)C

InChI Key: InChIKey=QVJVMNUTCGTBCH-UHFFFAOYSA-N

Data: 25 KI  8 IC50

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 32 hits for monomerid = 96235   

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
Glycylpeptide N-tetradecanoyltransferase 1 (Human)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.94E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Beta-1/Beta-2/Beta-3 adrenergic receptor (Human)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Human)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Human)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.94E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.27E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.27E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	843	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		50	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		140	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		240	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		260	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		280	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		360	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		390	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		420	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		450	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		450	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		450	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		540	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		540	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		600	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		690	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		860	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		890	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		1.00E+3	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10E+3	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		1.70E+3	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		1.90E+3	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		2.20E+3	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		2.60E+3	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		6.90E+3	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
Glycylpeptide N-tetradecanoyltransferase (Yeast)	BDBM96235 (4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl...) Show SMILES Show InChI	GoogleScholar	UniChem		>8.90E+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