BDBM50114867 CHEMBL3608879

SMILES: COc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C1CC1

InChI Key: InChIKey=FESZAJORNPRUGH-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 = 50114867   

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))	BDBM50114867 (CHEMBL3608879) Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C1CC1 Show InChI InChI=1S/C13H14N2O4S/c1-18-10-5-4-9(6-12(10)20(14,16)17)11-7-15-13(19-11)8-2-3-8/h4-8H,2-3H2,1H3,(H2,14,16,17)	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	438	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 human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method				Eur J Med Chem 101: 334-47 (2015) BindingDB Entry DOI: 10.7270/Q2W95BZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50114867 (CHEMBL3608879) Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C1CC1 Show InChI InChI=1S/C13H14N2O4S/c1-18-10-5-4-9(6-12(10)20(14,16)17)11-7-15-13(19-11)8-2-3-8/h4-8H,2-3H2,1H3,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.96E+3	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 human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method				Eur J Med Chem 101: 334-47 (2015) BindingDB Entry DOI: 10.7270/Q2W95BZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50114867 (CHEMBL3608879) Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C1CC1 Show InChI InChI=1S/C13H14N2O4S/c1-18-10-5-4-9(6-12(10)20(14,16)17)11-7-15-13(19-11)8-2-3-8/h4-8H,2-3H2,1H3,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.86E+3	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 human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Eur J Med Chem 101: 334-47 (2015) BindingDB Entry DOI: 10.7270/Q2W95BZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50114867 (CHEMBL3608879) Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C1CC1 Show InChI InChI=1S/C13H14N2O4S/c1-18-10-5-4-9(6-12(10)20(14,16)17)11-7-15-13(19-11)8-2-3-8/h4-8H,2-3H2,1H3,(H2,14,16,17)	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 human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method				Eur J Med Chem 101: 334-47 (2015) BindingDB Entry DOI: 10.7270/Q2W95BZC
					More data for this Ligand-Target Pair