BDBM36181 SODIUM BENZOATE::benzoate::benzoic acid::benzoic acid-d5

SMILES: [O-]C(=O)c1ccccc1

InChI Key: InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M

Data: 13 KI  5 IC50  3 Kd  1 EC50  5 ITC

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 22 hits for monomerid = 36181   

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
D-amino-acid oxidase (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Metabotropic glutamate receptor 5 (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
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D-amino-acid oxidase (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a
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D-amino-acid oxidase (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
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D-amino-acid oxidase (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a
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D-amino-acid oxidase (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a
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D-aspartate oxidase (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
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Serine racemase (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
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D-amino-acid oxidase (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
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D-amino-acid oxidase (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D-amino-acid oxidase (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D-amino-acid oxidase (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Solute carrier family 22 member 20 (Mouse)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase (Yeast)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 2 (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase [110-330] (Coastal plain yellowtops)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		6.45E+4	-5.62	n/a	n/a	n/a	n/a	n/a	8.3	20
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Carbonic anhydrase 4 (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		7.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Solute carrier family 22 member 6 (Mouse)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		2.53E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 1 (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		7.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 5A, mitochondrial (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		7.01E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Carbonic anhydrase 9 (Human)	BDBM36181 (benzoic acid | benzoate | SODIUM BENZOATE | benzoi...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.50E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 36181

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM36127	BDBM36181				-2.51	-0.669	-1.83	1.84	6.90	25
TBA					Details of this binding reaction
BDBM36127	BDBM36181				-2.58	-0.762	-1.83	1.89	6.90	25
TBA					Details of this binding reaction
BDBM36127	BDBM36181				-2.46	-0.577	-1.89	1.81	6.90	25
TBA					Details of this binding reaction
BDBM36127	BDBM36181				-2.55	-0.741	-1.82	1.87	6.90	25
TBA					Details of this binding reaction
BDBM11	BDBM36181				-1.64	0.869	-2.51	1.20	6.90	25
TBA					Details of this binding reaction