BDBM50428396 CHEMBL2333587::Ethyl 2,6-Dihydroxybenzoate

SMILES: CCOC(=O)c1c(O)cccc1O

InChI Key: InChIKey=MIGILBRMELSWJT-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50428396   

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))	BDBM50428396 (CHEMBL2333587 | Ethyl 2,6-Dihydroxybenzoate) Show SMILES CCOC(=O)c1c(O)cccc1O Show InChI InChI=1S/C9H10O4/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,10-11H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	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 carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1564-9 (2013) Article DOI: 10.1016/j.bmc.2012.05.019 BindingDB Entry DOI: 10.7270/Q29888CF
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50428396 (CHEMBL2333587 | Ethyl 2,6-Dihydroxybenzoate) Show SMILES CCOC(=O)c1c(O)cccc1O Show InChI InChI=1S/C9H10O4/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,10-11H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	670	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 carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1564-9 (2013) Article DOI: 10.1016/j.bmc.2012.05.019 BindingDB Entry DOI: 10.7270/Q29888CF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50428396 (CHEMBL2333587 | Ethyl 2,6-Dihydroxybenzoate) Show SMILES CCOC(=O)c1c(O)cccc1O Show InChI InChI=1S/C9H10O4/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,10-11H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	760	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 carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1564-9 (2013) Article DOI: 10.1016/j.bmc.2012.05.019 BindingDB Entry DOI: 10.7270/Q29888CF
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428396 (CHEMBL2333587 | Ethyl 2,6-Dihydroxybenzoate) Show SMILES CCOC(=O)c1c(O)cccc1O Show InChI InChI=1S/C9H10O4/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,10-11H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	780	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 carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1564-9 (2013) Article DOI: 10.1016/j.bmc.2012.05.019 BindingDB Entry DOI: 10.7270/Q29888CF
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50428396 (CHEMBL2333587 | Ethyl 2,6-Dihydroxybenzoate) Show SMILES CCOC(=O)c1c(O)cccc1O Show InChI InChI=1S/C9H10O4/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,10-11H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	820	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 carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1564-9 (2013) Article DOI: 10.1016/j.bmc.2012.05.019 BindingDB Entry DOI: 10.7270/Q29888CF
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428396 (CHEMBL2333587 | Ethyl 2,6-Dihydroxybenzoate) Show SMILES CCOC(=O)c1c(O)cccc1O Show InChI InChI=1S/C9H10O4/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,10-11H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	840	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 carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1564-9 (2013) Article DOI: 10.1016/j.bmc.2012.05.019 BindingDB Entry DOI: 10.7270/Q29888CF
					More data for this Ligand-Target Pair