BindingDB PrimarySearch

BDBM50292575 8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one::CHEMBL303846::XANTHYLETIN::cid_65188

SMILES: CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1

InChI Key: InChIKey=QOTBQNVNUBKJMS-UHFFFAOYSA-N

Data: 6 KI 4 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50292575
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50292575 (8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one \| CHEMB...) Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 \|c:17\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	7.51E+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 carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
Griffith University Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50292575 (8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one \| CHEMB...) Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 \|c:17\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	8.36E+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 carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
Griffith University Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50292575 (8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one \| CHEMB...) Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 \|c:17\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	9.18E+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 carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
Griffith University Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50292575 (8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one \| CHEMB...) Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 \|c:17\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.15E+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 human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
Griffith University Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50292575 (8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one \| CHEMB...) Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 \|c:17\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.57E+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 human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
Griffith University Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50292575 (8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one \| CHEMB...) Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 \|c:17\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+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 carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
Griffith University Curated by ChEMBL					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human))	BDBM50292575 (8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one \| CHEMB...) Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 \|c:17\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50				Bioorg Med Chem Lett 14: 2199-204 (2004) Article DOI: 10.1016/j.bmcl.2004.02.025 BindingDB Entry DOI: 10.7270/Q20K2810
Universidade Federal de Minas Gerais Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50292575 (8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one \| CHEMB...) Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 \|c:17\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay				Bioorg Med Chem 20: 784-8 (2012) Article DOI: 10.1016/j.bmc.2011.12.002 BindingDB Entry DOI: 10.7270/Q2F47PKK
Kinki University Curated by ChEMBL					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphate aldolase (FBA) (Mycobacterium tuberculosis (strain H37Rv))	BDBM50292575 (8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one \| CHEMB...) Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 \|c:17\| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q25719N6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50292575 (8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one \| CHEMB...) Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 \|c:17\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of AChE by spectrophotometry				J Nat Prod 64: 683-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5NQD
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair