BDBM11979 5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid::CHEMBL115145::MgrA inhibitor, 1::US20250213569, Compound 30::chemical diversity library compound 4

SMILES: c1cc(c(cc1Cc2ccc(c(c2)C(=O)O)O)C(=O)O)O

InChI Key: InChIKey=JWQFKVGACKJIAV-UHFFFAOYSA-N

Data: 1 KI  19 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 19 hits for monomerid = 11979   

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
DNA (cytosine-5)-methyltransferase 3-like/3B (Human)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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HTH-type transcriptional regulator MgrA (Staphylococcus aureus)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) 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
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Tyrosine-protein phosphatase non-receptor type 1 (Human)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.60E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Integrase (Human immunodeficiency virus type 1)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Integrase (Human immunodeficiency virus type 1)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Integrase (Human immunodeficiency virus type 1)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Integrase (Human immunodeficiency virus type 1)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
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DNA (cytosine-5)-methyltransferase 3B (Human)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
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DNA (cytosine-5)-methyltransferase 1 (Human)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
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DNA (cytosine-5)-methyltransferase 1 (Human)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
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DNA (cytosine-5)-methyltransferase 3-like (Human)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) 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
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Genome polyprotein (DENV-2)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Genome polyprotein (DENV-2)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Genome polyprotein (DENV-2)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Genome polyprotein (DENV-2)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Genome polyprotein (DENV-2)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1ab (2019-nCoV)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
HTH-type transcriptional regulator MgrA (Staphylococcus aureus)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	7.4	7.7
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Lethal factor (Bacillus anthracis)	BDBM11979 (MgrA inhibitor, 1 | CHEMBL115145 | 5-[(3-carboxy-4...) Show SMILES Show InChI	GoogleScholar	UniChem		2.40E+3	-7.71	2.90E+3	n/a	n/a	n/a	n/a	7.2	27
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