BDBM50339594 2-hydroxy-8-methoxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid::CHEMBL592384

SMILES: COc1cc(C)cc2oc3ccc(O)c(C(O)=O)c3c(=O)c12

InChI Key: InChIKey=BQOVQGSBHRLTFG-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 = 50339594   

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
beta-Carbonic Anhydrase (Candida albicans (Yeast))	BDBM50339594 (2-hydroxy-8-methoxy-6-methyl-9-oxo-9H-xanthene-1-c...) Show SMILES COc1cc(C)cc2oc3ccc(O)c(C(O)=O)c3c(=O)c12 Show InChI InChI=1S/C16H12O6/c1-7-5-10(21-2)13-11(6-7)22-9-4-3-8(17)12(16(19)20)14(9)15(13)18/h3-6,17H,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic Anhydrase 2 (Can2) (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50339594 (2-hydroxy-8-methoxy-6-methyl-9-oxo-9H-xanthene-1-c...) Show SMILES COc1cc(C)cc2oc3ccc(O)c(C(O)=O)c3c(=O)c12 Show InChI InChI=1S/C16H12O6/c1-7-5-10(21-2)13-11(6-7)22-9-4-3-8(17)12(16(19)20)14(9)15(13)18/h3-6,17H,1-2H3,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50339594 (2-hydroxy-8-methoxy-6-methyl-9-oxo-9H-xanthene-1-c...) Show SMILES COc1cc(C)cc2oc3ccc(O)c(C(O)=O)c3c(=O)c12 Show InChI InChI=1S/C16H12O6/c1-7-5-10(21-2)13-11(6-7)22-9-4-3-8(17)12(16(19)20)14(9)15(13)18/h3-6,17H,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic Anhydrase (mtCA 1) (Mycobacterium tuberculosis)	BDBM50339594 (2-hydroxy-8-methoxy-6-methyl-9-oxo-9H-xanthene-1-c...) Show SMILES COc1cc(C)cc2oc3ccc(O)c(C(O)=O)c3c(=O)c12 Show InChI InChI=1S/C16H12O6/c1-7-5-10(21-2)13-11(6-7)22-9-4-3-8(17)12(16(19)20)14(9)15(13)18/h3-6,17H,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (Mycobacterium tuberculosis)	BDBM50339594 (2-hydroxy-8-methoxy-6-methyl-9-oxo-9H-xanthene-1-c...) Show SMILES COc1cc(C)cc2oc3ccc(O)c(C(O)=O)c3c(=O)c12 Show InChI InChI=1S/C16H12O6/c1-7-5-10(21-2)13-11(6-7)22-9-4-3-8(17)12(16(19)20)14(9)15(13)18/h3-6,17H,1-2H3,(H,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50339594 (2-hydroxy-8-methoxy-6-methyl-9-oxo-9H-xanthene-1-c...) Show SMILES COc1cc(C)cc2oc3ccc(O)c(C(O)=O)c3c(=O)c12 Show InChI InChI=1S/C16H12O6/c1-7-5-10(21-2)13-11(6-7)22-9-4-3-8(17)12(16(19)20)14(9)15(13)18/h3-6,17H,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.01E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair