BDBM50329694 Bis(3,4-dihydroxyphenyl)methanone::CHEMBL1269420::hCA inhibitor, 3

SMILES: Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1

InChI Key: InChIKey=XZXMWAHILBWKBI-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50329694   

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 2 (Homo sapiens (Human))	BDBM50329694 (Bis(3,4-dihydroxyphenyl)methanone | CHEMBL1269420 ...) Show SMILES Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C13H10O5/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,14-17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Artvin Coruh University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...				J Enzyme Inhib Med Chem 27: 467-75 (2012) Article DOI: 10.3109/14756366.2011.596836 BindingDB Entry DOI: 10.7270/Q2CN72TT
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50329694 (Bis(3,4-dihydroxyphenyl)methanone | CHEMBL1269420 ...) Show SMILES Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C13H10O5/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,14-17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Artvin Coruh University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...				J Enzyme Inhib Med Chem 27: 467-75 (2012) Article DOI: 10.3109/14756366.2011.596836 BindingDB Entry DOI: 10.7270/Q2CN72TT
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50329694 (Bis(3,4-dihydroxyphenyl)methanone | CHEMBL1269420 ...) Show SMILES Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C13H10O5/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,14-17H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Artvin Coruh University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...				J Enzyme Inhib Med Chem 27: 467-75 (2012) Article DOI: 10.3109/14756366.2011.596836 BindingDB Entry DOI: 10.7270/Q2CN72TT
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50329694 (Bis(3,4-dihydroxyphenyl)methanone | CHEMBL1269420 ...) Show SMILES Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C13H10O5/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,14-17H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Candida albicans ATCC 10231 isocitrate lyase				Bioorg Med Chem Lett 20: 6644-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.015 BindingDB Entry DOI: 10.7270/Q22V2GBW
					More data for this Ligand-Target Pair