BDBM50146810 CHEMBL3765255

SMILES: NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=BBRAYSOSKRWLLD-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 = 50146810   

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 12 (Homo sapiens (Human))	BDBM50146810 (CHEMBL3765255) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H16N2O4S2/c19-25(21,22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)26(20,23)24/h1-12H,(H2,19,21,22)(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50146810 (CHEMBL3765255) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H16N2O4S2/c19-25(21,22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)26(20,23)24/h1-12H,(H2,19,21,22)(H2,20,23,24)	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	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50146810 (CHEMBL3765255) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H16N2O4S2/c19-25(21,22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)26(20,23)24/h1-12H,(H2,19,21,22)(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50146810 (CHEMBL3765255) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H16N2O4S2/c19-25(21,22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)26(20,23)24/h1-12H,(H2,19,21,22)(H2,20,23,24)	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
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair