BDBM50231533 CHEMBL4100722

SMILES: COc1ccc(cc1S(N)(=O)=O)-c1noc(N)c1S(N)(=O)=O

InChI Key: InChIKey=XOVLRGKZVFYCME-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 = 50231533   

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 4 (Homo sapiens (Human))	BDBM50231533 (CHEMBL4100722) Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1noc(N)c1S(N)(=O)=O Show InChI InChI=1S/C10H12N4O6S2/c1-19-6-3-2-5(4-7(6)21(12,15)16)8-9(22(13,17)18)10(11)20-14-8/h2-4H,11H2,1H3,(H2,12,15,16)(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-4 assessed as reduction in enzyme-catalyzed hydration activity using CO2 as substrate preincubated...				Bioorg Med Chem 25: 1914-1925 (2017) BindingDB Entry DOI: 10.7270/Q2ZP48CZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50231533 (CHEMBL4100722) Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1noc(N)c1S(N)(=O)=O Show InChI InChI=1S/C10H12N4O6S2/c1-19-6-3-2-5(4-7(6)21(12,15)16)8-9(22(13,17)18)10(11)20-14-8/h2-4H,11H2,1H3,(H2,12,15,16)(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in enzyme-catalyzed hydration activity using CO2 as substrate preincubated...				Bioorg Med Chem 25: 1914-1925 (2017) BindingDB Entry DOI: 10.7270/Q2ZP48CZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50231533 (CHEMBL4100722) Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1noc(N)c1S(N)(=O)=O Show InChI InChI=1S/C10H12N4O6S2/c1-19-6-3-2-5(4-7(6)21(12,15)16)8-9(22(13,17)18)10(11)20-14-8/h2-4H,11H2,1H3,(H2,12,15,16)(H2,13,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in enzyme-catalyzed hydration activity using CO2 as substrate preincubated...				Bioorg Med Chem 25: 1914-1925 (2017) BindingDB Entry DOI: 10.7270/Q2ZP48CZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50231533 (CHEMBL4100722) Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1noc(N)c1S(N)(=O)=O Show InChI InChI=1S/C10H12N4O6S2/c1-19-6-3-2-5(4-7(6)21(12,15)16)8-9(22(13,17)18)10(11)20-14-8/h2-4H,11H2,1H3,(H2,12,15,16)(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in enzyme-catalyzed hydration activity using CO2 as substrate preincubated...				Bioorg Med Chem 25: 1914-1925 (2017) BindingDB Entry DOI: 10.7270/Q2ZP48CZ
					More data for this Ligand-Target Pair