BDBM50022180 5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2)::5,7-Dihydroxy-4-methyl-chromen-2-one::5,7-dihydroxy-4-methyl-2H-chromen-2-one::CHEMBL12252::Coumarin derivative, 1b

SMILES: Cc1cc(=O)oc2cc(O)cc(O)c12

InChI Key: InChIKey=QNVWGEJMXOQQPM-UHFFFAOYSA-N

Data: 4 KI  2 IC50

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 = 50022180   

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))	BDBM50022180 (5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...) Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12 Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	190	-8.52	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50022180 (5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...) Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12 Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.40E+3	-6.58	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50022180 (5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...) Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12 Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8.40E+3	-6.43	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50022180 (5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...) Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12 Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+5	>-4.69	n/a	n/a	n/a	n/a	n/a	7.5	4
S.G.S.I.T.S					Assay Description An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 292-6 (2014) Article DOI: 10.3109/14756366.2013.777334 BindingDB Entry DOI: 10.7270/Q2J38RFK
					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM50022180 (5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...) Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12 Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against rat lens aldose reductase (noncompetitive inhibition type)				J Med Chem 29: 1094-9 (1986) BindingDB Entry DOI: 10.7270/Q20865WC
					More data for this Ligand-Target Pair
Non-structural protein 5B (NS5B) (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM50022180 (5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...) Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12 Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.72E+4	n/a	n/a	n/a	n/a	7.0	30
UMDNJ-New Jersey Medical School					Assay Description Inhibition assay using HCV NS5B.				Chem Biol Drug Des 81: 607-14 (2013) Article DOI: 10.1111/cbdd.12105 BindingDB Entry DOI: 10.7270/Q2R78CT6
					More data for this Ligand-Target Pair