null

SMILES: CC(C)(C)N1[S+]([O-])C(=CC1=O)c1cc2ccccc2s1

InChI Key: InChIKey=WCVRGBYHJOUJQS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50524468   

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))	BDBM50524468 (CHEMBL4516821) Show SMILES CC(C)(C)N1[S+]([O-])C(=CC1=O)c1cc2ccccc2s1 |c:7| Show InChI InChI=1S/C15H15NO2S2/c1-15(2,3)16-14(17)9-13(20(16)18)12-8-10-6-4-5-7-11(10)19-12/h4-9H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	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 9 (Homo sapiens (Human))	BDBM50524468 (CHEMBL4516821) Show SMILES CC(C)(C)N1[S+]([O-])C(=CC1=O)c1cc2ccccc2s1 |c:7| Show InChI InChI=1S/C15H15NO2S2/c1-15(2,3)16-14(17)9-13(20(16)18)12-8-10-6-4-5-7-11(10)19-12/h4-9H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	133	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 1 (Homo sapiens (Human))	BDBM50524468 (CHEMBL4516821) Show SMILES CC(C)(C)N1[S+]([O-])C(=CC1=O)c1cc2ccccc2s1 |c:7| Show InChI InChI=1S/C15H15NO2S2/c1-15(2,3)16-14(17)9-13(20(16)18)12-8-10-6-4-5-7-11(10)19-12/h4-9H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.84E+3	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))	BDBM50524468 (CHEMBL4516821) Show SMILES CC(C)(C)N1[S+]([O-])C(=CC1=O)c1cc2ccccc2s1 |c:7| Show InChI InChI=1S/C15H15NO2S2/c1-15(2,3)16-14(17)9-13(20(16)18)12-8-10-6-4-5-7-11(10)19-12/h4-9H,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