BDBM50332032 8-Propionyl-7-propoxy-2H-chromen-2-one::CHEMBL1288623

SMILES: CCCOc1ccc2ccc(=O)oc2c1C(=O)CC

InChI Key: InChIKey=CVYSNMWNCSOWAN-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 = 50332032   

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
Zn finger protein (Nicotiana tabacum)	BDBM50332032 (8-Propionyl-7-propoxy-2H-chromen-2-one | CHEMBL128...) Show SMILES CCCOc1ccc2ccc(=O)oc2c1C(=O)CC Show InChI InChI=1S/C15H16O4/c1-3-9-18-12-7-5-10-6-8-13(17)19-15(10)14(12)11(16)4-2/h5-8H,3-4,9H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.4	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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50332032 (8-Propionyl-7-propoxy-2H-chromen-2-one | CHEMBL128...) Show SMILES CCCOc1ccc2ccc(=O)oc2c1C(=O)CC Show InChI InChI=1S/C15H16O4/c1-3-9-18-12-7-5-10-6-8-13(17)19-15(10)14(12)11(16)4-2/h5-8H,3-4,9H2,1-2H3	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	50.2	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 1 (Homo sapiens (Human))	BDBM50332032 (8-Propionyl-7-propoxy-2H-chromen-2-one | CHEMBL128...) Show SMILES CCCOc1ccc2ccc(=O)oc2c1C(=O)CC Show InChI InChI=1S/C15H16O4/c1-3-9-18-12-7-5-10-6-8-13(17)19-15(10)14(12)11(16)4-2/h5-8H,3-4,9H2,1-2H3	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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50332032 (8-Propionyl-7-propoxy-2H-chromen-2-one | CHEMBL128...) Show SMILES CCCOc1ccc2ccc(=O)oc2c1C(=O)CC Show InChI InChI=1S/C15H16O4/c1-3-9-18-12-7-5-10-6-8-13(17)19-15(10)14(12)11(16)4-2/h5-8H,3-4,9H2,1-2H3	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)