BDBM50303493 CHEMBL567896::methyl 6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylate

SMILES: COC(=O)c1cc2cc(CO)ccc2oc1=O

InChI Key: InChIKey=BVABSSGMJLREHA-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50303493   

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 XIV (Homo sapiens (Human))	BDBM50303493 (CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...) Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50303493 (CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...) Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50303493 (CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...) Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIII (Mus musculus (mouse))	BDBM50303493 (CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...) Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 15 (Mus musculus)	BDBM50303493 (CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...) Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50303493 (CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...) Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50303493 (CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...) Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3	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	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50303493 (CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...) Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50303493 (CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...) Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM50303493 (CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...) Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50303493 (CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...) Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50303493 (CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...) Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3	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	1.45E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50303493 (CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...) Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay				J Med Chem 53: 335-44 (2010) Article DOI: 10.1021/jm901287j BindingDB Entry DOI: 10.7270/Q2MS3TP5
					More data for this Ligand-Target Pair