BindingDB PrimarySearch

BDBM50336491 3-Hydroxy-benzoic acid::3-Hydroxybenzoate::3-Hydroxybenzoate, II::3-hydroxybenzoic acid::CHEMBL65369

SMILES: OC(=O)c1cccc(O)c1

InChI Key: InChIKey=IJFXRHURBJZNAO-UHFFFAOYSA-N

Data: 7 KI 1 IC50 3 Kd 2 EC50

PDB links: 11 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50336491
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50336491 (3-Hydroxy-benzoic acid \| 3-Hydroxybenzoate \| 3-Hyd...) Show SMILES OC(=O)c1cccc(O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Calgary Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 19: 1381-9 (2011) Article DOI: 10.1016/j.bmc.2011.01.016 BindingDB Entry DOI: 10.7270/Q2KS6RVD
University of Calgary Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50336491 (3-Hydroxy-benzoic acid \| 3-Hydroxybenzoate \| 3-Hyd...) Show SMILES OC(=O)c1cccc(O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Calgary Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 19: 1381-9 (2011) Article DOI: 10.1016/j.bmc.2011.01.016 BindingDB Entry DOI: 10.7270/Q2KS6RVD
University of Calgary Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50336491 (3-Hydroxy-benzoic acid \| 3-Hydroxybenzoate \| 3-Hyd...) Show SMILES OC(=O)c1cccc(O)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gumushane University Curated by ChEMBL					Assay Description Inhibition of human CA6 using 4-nitrophenylacetate substrate by esterase assay				Bioorg Med Chem Lett 21: 4259-62 (2011) Article DOI: 10.1016/j.bmcl.2011.05.071 BindingDB Entry DOI: 10.7270/Q2PC32Q0
Gumushane University Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50336491 (3-Hydroxy-benzoic acid \| 3-Hydroxybenzoate \| 3-Hyd...) Show SMILES OC(=O)c1cccc(O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Calgary Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 19: 1381-9 (2011) Article DOI: 10.1016/j.bmc.2011.01.016 BindingDB Entry DOI: 10.7270/Q2KS6RVD
University of Calgary Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50336491 (3-Hydroxy-benzoic acid \| 3-Hydroxybenzoate \| 3-Hyd...) Show SMILES OC(=O)c1cccc(O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Calgary Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 19: 1381-9 (2011) Article DOI: 10.1016/j.bmc.2011.01.016 BindingDB Entry DOI: 10.7270/Q2KS6RVD
University of Calgary Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase (Dicentrarchus labrax)	BDBM50336491 (3-Hydroxy-benzoic acid \| 3-Hydroxybenzoate \| 3-Hyd...) Show SMILES OC(=O)c1cccc(O)c1 Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.83E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gumushane University Curated by ChEMBL					Assay Description Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay				Bioorg Med Chem Lett 21: 4259-62 (2011) Article DOI: 10.1016/j.bmcl.2011.05.071 BindingDB Entry DOI: 10.7270/Q2PC32Q0
Gumushane University Curated by ChEMBL					More data for this Ligand-Target Pair
Procollagen-proline,2-oxoglutarate-4-dioxygenase (Gallus gallus (Chicken))	BDBM50336491 (3-Hydroxy-benzoic acid \| 3-Hydroxybenzoate \| 3-Hyd...) Show SMILES OC(=O)c1cccc(O)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu					Assay Description Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.				J Biol Chem 261: 7819-23 (1986) BindingDB Entry DOI: 10.7270/Q2SJ1J6Z
University of Oulu					More data for this Ligand-Target Pair
3-Hydroxybenzoate 6-hydroxylase (3HB6H Y105F) (Rhodococcus jostii RHA1)	BDBM50336491 (3-Hydroxy-benzoic acid \| 3-Hydroxybenzoate \| 3-Hyd...) Show SMILES OC(=O)c1cccc(O)c1 Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	6.44E+5	n/a	n/a	n/a	8.0	n/a
Wageningen University					Assay Description The interaction of 3HB6H (25 uM) with substrate analogs was studied in 50 mM Tris-SO4 (pH 8.0). Dissociation constants (Kd) of enzyme-substrate compl...				J Biol Chem 288: 26235-45 (2013) Article DOI: 10.1074/jbc.M113.479303 BindingDB Entry DOI: 10.7270/Q2X34W9B
Wageningen University					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50336491 (3-Hydroxy-benzoic acid \| 3-Hydroxybenzoate \| 3-Hyd...) Show SMILES OC(=O)c1cccc(O)c1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.15E+5	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR109a transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay				ACS Med Chem Lett 3: 637-639 (2012) Article DOI: 10.1021/ml3000676 BindingDB Entry DOI: 10.7270/Q27945RB
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
3-Hydroxybenzoate 6-hydroxylase (3HB6H) (Rhodococcus jostii RHA1)	BDBM50336491 (3-Hydroxy-benzoic acid \| 3-Hydroxybenzoate \| 3-Hyd...) Show SMILES OC(=O)c1cccc(O)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	4.80E+4	n/a	n/a	n/a	8.0	n/a
Wageningen University					Assay Description The interaction of 3HB6H (25 uM) with substrate analogs was studied in 50 mM Tris-SO4 (pH 8.0). Dissociation constants (Kd) of enzyme-substrate compl...				J Biol Chem 288: 26235-45 (2013) Article DOI: 10.1074/jbc.M113.479303 BindingDB Entry DOI: 10.7270/Q2X34W9B
Wageningen University					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50336491 (3-Hydroxy-benzoic acid \| 3-Hydroxybenzoate \| 3-Hyd...) Show SMILES OC(=O)c1cccc(O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in CHO cells assessed as p-nitorphenol production after 2 mins by microplate reader				Eur J Med Chem 46: 4212-8 (2011) Article DOI: 10.1016/j.ejmech.2011.06.025 BindingDB Entry DOI: 10.7270/Q2FT8MDS
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 1 (Homo sapiens (Human))	BDBM50336491 (3-Hydroxy-benzoic acid \| 3-Hydroxybenzoate \| 3-Hyd...) Show SMILES OC(=O)c1cccc(O)c1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.84E+5	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay				ACS Med Chem Lett 3: 637-639 (2012) Article DOI: 10.1021/ml3000676 BindingDB Entry DOI: 10.7270/Q27945RB
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
3-Hydroxybenzoate 6-hydroxylase (3HB6H H213A) (Rhodococcus jostii RHA1)	BDBM50336491 (3-Hydroxy-benzoic acid \| 3-Hydroxybenzoate \| 3-Hyd...) Show SMILES OC(=O)c1cccc(O)c1 Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	6.10E+4	n/a	n/a	n/a	8.0	n/a
Wageningen University					Assay Description The interaction of 3HB6H (25 uM) with substrate analogs was studied in 50 mM Tris-SO4 (pH 8.0). Dissociation constants (Kd) of enzyme-substrate compl...				J Biol Chem 288: 26235-45 (2013) Article DOI: 10.1074/jbc.M113.479303 BindingDB Entry DOI: 10.7270/Q2X34W9B
Wageningen University					More data for this Ligand-Target Pair				3D Structure (crystal)