BDBM50085536 3,4,5-Trihydroxybenzoate, X::3,4,5-trihydroxybenzoic acid::CHEMBL288114::Gallic Acid, F::gallic acid

SMILES: OC(=O)c1cc(O)c(O)c(O)c1

InChI Key: InChIKey=LNTHITQWFMADLM-UHFFFAOYSA-N

Data: 16 KI  24 IC50  3 Kd

PDB links: 10 PDB IDs match 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 43 hits for monomerid = 50085536   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 18: 2159-64 (2010) Article DOI: 10.1016/j.bmc.2010.01.076 BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 by stopped-flow CO2 hydration assay				Bioorg Med Chem 18: 2159-64 (2010) Article DOI: 10.1016/j.bmc.2010.01.076 BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA5A by stopped-flow CO2 hydration assay				Bioorg Med Chem 18: 2159-64 (2010) Article DOI: 10.1016/j.bmc.2010.01.076 BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
					More data for this Ligand-Target Pair
Carbonic anhydrase (Dicentrarchus labrax)	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.13E+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 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
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA7 by stopped-flow CO2 hydration assay				Bioorg Med Chem 18: 2159-64 (2010) Article DOI: 10.1016/j.bmc.2010.01.076 BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA6 by stopped-flow CO2 hydration assay				Bioorg Med Chem 18: 2159-64 (2010) Article DOI: 10.1016/j.bmc.2010.01.076 BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA9 by stopped-flow CO2 hydration assay				Bioorg Med Chem 18: 2159-64 (2010) Article DOI: 10.1016/j.bmc.2010.01.076 BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA14 by stopped-flow CO2 hydration assay				Bioorg Med Chem 18: 2159-64 (2010) Article DOI: 10.1016/j.bmc.2010.01.076 BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA3 by stopped-flow CO2 hydration assay				Bioorg Med Chem 18: 2159-64 (2010) Article DOI: 10.1016/j.bmc.2010.01.076 BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 18: 2159-64 (2010) Article DOI: 10.1016/j.bmc.2010.01.076 BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA4 by stopped-flow CO2 hydration assay				Bioorg Med Chem 18: 2159-64 (2010) Article DOI: 10.1016/j.bmc.2010.01.076 BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIII (Mus musculus (mouse))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of mouse CA13 by stopped-flow CO2 hydration assay				Bioorg Med Chem 18: 2159-64 (2010) Article DOI: 10.1016/j.bmc.2010.01.076 BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA5B by stopped-flow CO2 hydration assay				Bioorg Med Chem 18: 2159-64 (2010) Article DOI: 10.1016/j.bmc.2010.01.076 BindingDB Entry DOI: 10.7270/Q2GQ6ZP1
					More data for this Ligand-Target Pair
Procollagen-proline,2-oxoglutarate-4-dioxygenase (Gallus gallus (Chicken))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.00E+4	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
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.58E+5	-4.25	n/a	n/a	n/a	n/a	n/a	7.4	25
Ataturk University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion using s...				Chem Biol Drug Des 75: 515-20 (2010) Article DOI: 10.1111/j.1747-0285.2010.00965.x BindingDB Entry DOI: 10.7270/Q23F4N46
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.05E+6	-4.06	n/a	n/a	n/a	n/a	n/a	7.4	25
Ataturk University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion using s...				Chem Biol Drug Des 75: 515-20 (2010) Article DOI: 10.1111/j.1747-0285.2010.00965.x BindingDB Entry DOI: 10.7270/Q23F4N46
					More data for this Ligand-Target Pair
Selectin E (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cheng Kung University Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated NO production in LPS-induced mouse BV2 cells				Bioorg Med Chem 16: 9867-70 (2008) Article DOI: 10.1016/j.bmc.2008.09.021 BindingDB Entry DOI: 10.7270/Q2125TK2
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP				Bioorg Med Chem Lett 11: 2763-7 (2001) BindingDB Entry DOI: 10.7270/Q2X92BTR
					More data for this Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP (Vibrio harveyi)	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrs				Bioorg Med Chem Lett 18: 1567-72 (2008) Article DOI: 10.1016/j.bmcl.2008.01.081 BindingDB Entry DOI: 10.7270/Q2DB81KV
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor-1 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	7.8	23
University of Michigan					Assay Description Enzyme activity assay using human and murine PAI-1.				J Biol Chem 285: 7892-902 (2010) Article DOI: 10.1074/jbc.M109.067967 BindingDB Entry DOI: 10.7270/Q2ZC81FC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.5	22
Schering Plough Research Institute					Assay Description A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...				Arch Biochem Biophys 425: 51-7 (2004) Article DOI: 10.1016/j.abb.2004.02.039 BindingDB Entry DOI: 10.7270/Q20C4TCS
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.5	22
Schering Plough Research Institute					Assay Description A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...				Arch Biochem Biophys 425: 51-7 (2004) Article DOI: 10.1016/j.abb.2004.02.039 BindingDB Entry DOI: 10.7270/Q20C4TCS
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.3	22
Schering Plough Research Institute					Assay Description Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...				Arch Biochem Biophys 425: 51-7 (2004) Article DOI: 10.1016/j.abb.2004.02.039 BindingDB Entry DOI: 10.7270/Q20C4TCS
					More data for this Ligand-Target Pair
Alpha-(2,3)-(N)-sialyltransferase (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	7.3	22
Schering Plough Research Institute					Assay Description A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...				Arch Biochem Biophys 425: 51-7 (2004) Article DOI: 10.1016/j.abb.2004.02.039 BindingDB Entry DOI: 10.7270/Q20C4TCS
					More data for this Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase IV (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	7.3	22
Schering Plough Research Institute					Assay Description A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...				Arch Biochem Biophys 425: 51-7 (2004) Article DOI: 10.1016/j.abb.2004.02.039 BindingDB Entry DOI: 10.7270/Q20C4TCS
					More data for this Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase VII (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	7.3	22
Schering Plough Research Institute					Assay Description A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...				Arch Biochem Biophys 425: 51-7 (2004) Article DOI: 10.1016/j.abb.2004.02.039 BindingDB Entry DOI: 10.7270/Q20C4TCS
					More data for this Ligand-Target Pair
Alpha-(1,3)-fucosyltransferase VII (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.3	22
Schering Plough Research Institute					Assay Description A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 m...				Arch Biochem Biophys 425: 51-7 (2004) Article DOI: 10.1016/j.abb.2004.02.039 BindingDB Entry DOI: 10.7270/Q20C4TCS
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of alpha-synuclein (unknown origin) aggregation incubated for 3 days by thioflavin T based fluorescence assay				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.70E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ACE by fluorometric assay				J Nat Prod 51: 357-359 (1988) Article DOI: 10.1021/np50056a033 BindingDB Entry DOI: 10.7270/Q2XW4M1C
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Pancreatic lipase (Sus scrofa (Pig))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using micellar solution of triolein as substrate preincubated for 5 mins before substrate addition measured a...				Bioorg Med Chem Lett 22: 6410-2 (2012) Article DOI: 10.1016/j.bmcl.2012.08.055 BindingDB Entry DOI: 10.7270/Q2668F90
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Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins ...				Eur J Med Chem 151: 145-157 (2018) Article DOI: 10.1016/j.ejmech.2018.03.041 BindingDB Entry DOI: 10.7270/Q2CZ39SV
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL62 (Saccharomyces cerevisiae)	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	5.20E+9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometry				Citation and Details Article DOI: 10.1007/s00044-011-9938-0 BindingDB Entry DOI: 10.7270/Q29W0JBG
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Anthrax toxin receptor 2 (Homo sapiens)	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of CMG2 (40 to 217) C175A and R40C double mutant (unknown origin) interaction to full length PA E733C mutant expressed in Escherichia coli...				J Med Chem 56: 1940-5 (2013) Article DOI: 10.1021/jm301558t BindingDB Entry DOI: 10.7270/Q2BP05Q3
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as dissociation constant by SPR analysis				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as association rate by SPR analysis				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as dissociation rate by SPR analysis				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020
					More data for this Ligand-Target Pair
Polypeptide N-acetylgalactosaminyltransferase 2 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293T cells and using 5-FAM labelled-EA2 peptide as subst...				Bioorg Med Chem 27: 3372-3382 (2019) Article DOI: 10.1016/j.bmc.2019.06.020
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1/beta type-5 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Agricultural and Food Biotechnology Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of purified human 20S proteasome assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as sub...				Eur J Med Chem 167: 291-311 (2019) Article DOI: 10.1016/j.ejmech.2019.01.044
					More data for this Ligand-Target Pair
Toll-like receptor 2 (Mus musculus)	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Antagonist activity at TLR2 in mouse RAW264.7 cells assessed as PAM3CSK4-induced NO production measured after 24 hrs by Griess assay				Eur J Med Chem 179: 233-245 (2019) Article DOI: 10.1016/j.ejmech.2019.06.059
					More data for this Ligand-Target Pair
Leukocyte adhesion molecule-1 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1 (Homo sapiens (Human))	BDBM50085536 (3,4,5-Trihydroxybenzoate, X | 3,4,5-trihydroxybenz...) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair