BDBM50332034 7-hydroxy-6-propionyl-2H-chromen-2-one::CHEMBL1288535

SMILES: CCC(=O)c1cc2ccc(=O)oc2cc1O

InChI Key: InChIKey=GJOCMGDMAGUOKE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50332034   

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 9 (Homo sapiens (Human))	BDBM50332034 (7-hydroxy-6-propionyl-2H-chromen-2-one | CHEMBL128...) Show SMILES CCC(=O)c1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C12H10O4/c1-2-9(13)8-5-7-3-4-12(15)16-11(7)6-10(8)14/h3-6,14H,2H2,1H3	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	8.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method				Bioorg Med Chem Lett 20: 7255-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.094 BindingDB Entry DOI: 10.7270/Q2416X9P
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50332034 (7-hydroxy-6-propionyl-2H-chromen-2-one | CHEMBL128...) Show SMILES CCC(=O)c1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C12H10O4/c1-2-9(13)8-5-7-3-4-12(15)16-11(7)6-10(8)14/h3-6,14H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length human CA2 cytosolic isoform by stopped-flow CO2 hydration method				Bioorg Med Chem Lett 20: 7255-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.094 BindingDB Entry DOI: 10.7270/Q2416X9P
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50332034 (7-hydroxy-6-propionyl-2H-chromen-2-one | CHEMBL128...) Show SMILES CCC(=O)c1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C12H10O4/c1-2-9(13)8-5-7-3-4-12(15)16-11(7)6-10(8)14/h3-6,14H,2H2,1H3	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length human CA1 cytosolic isoform by stopped-flow CO2 hydration method				Bioorg Med Chem Lett 20: 7255-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.094 BindingDB Entry DOI: 10.7270/Q2416X9P
					More data for this Ligand-Target Pair
Zn finger protein (Nicotiana tabacum)	BDBM50332034 (7-hydroxy-6-propionyl-2H-chromen-2-one | CHEMBL128...) Show SMILES CCC(=O)c1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C12H10O4/c1-2-9(13)8-5-7-3-4-12(15)16-11(7)6-10(8)14/h3-6,14H,2H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method				Bioorg Med Chem Lett 20: 7255-8 (2010) Article DOI: 10.1016/j.bmcl.2010.10.094 BindingDB Entry DOI: 10.7270/Q2416X9P
					More data for this Ligand-Target Pair