null

SMILES: CC(C)(C)N1[S+]([O-])C(=CC1=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=FGIDWKHGJPGXEV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50524463   

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))	BDBM50524463 (CHEMBL4567388) Show SMILES CC(C)(C)N1[S+]([O-])C(=CC1=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 |c:7| Show InChI InChI=1S/C21H20N2O4S2/c1-21(2,3)23-20(24)14-19(28(23)25)18-13-15-9-7-8-12-17(15)22(18)29(26,27)16-10-5-4-6-11-16/h4-14H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	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 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 175: 40-48 (2019) Article DOI: 10.1016/j.ejmech.2019.04.072
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50524463 (CHEMBL4567388) Show SMILES CC(C)(C)N1[S+]([O-])C(=CC1=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 |c:7| Show InChI InChI=1S/C21H20N2O4S2/c1-21(2,3)23-20(24)14-19(28(23)25)18-13-15-9-7-8-12-17(15)22(18)29(26,27)16-10-5-4-6-11-16/h4-14H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	323	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 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 175: 40-48 (2019) Article DOI: 10.1016/j.ejmech.2019.04.072
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50524463 (CHEMBL4567388) Show SMILES CC(C)(C)N1[S+]([O-])C(=CC1=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 |c:7| Show InChI InChI=1S/C21H20N2O4S2/c1-21(2,3)23-20(24)14-19(28(23)25)18-13-15-9-7-8-12-17(15)22(18)29(26,27)16-10-5-4-6-11-16/h4-14H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 175: 40-48 (2019) Article DOI: 10.1016/j.ejmech.2019.04.072
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50524463 (CHEMBL4567388) Show SMILES CC(C)(C)N1[S+]([O-])C(=CC1=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 |c:7| Show InChI InChI=1S/C21H20N2O4S2/c1-21(2,3)23-20(24)14-19(28(23)25)18-13-15-9-7-8-12-17(15)22(18)29(26,27)16-10-5-4-6-11-16/h4-14H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 2 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 175: 40-48 (2019) Article DOI: 10.1016/j.ejmech.2019.04.072
					More data for this Ligand-Target Pair