BDBM50524461 CHEMBL4577142

SMILES: CC(C)(C)N1C(=O)C=C(c2cccs2)S1(=O)=O

InChI Key: InChIKey=ZEJXILZKNWYIPA-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 = 50524461   

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))	BDBM50524461 (CHEMBL4577142) Show SMILES CC(C)(C)N1C(=O)C=C(c2cccs2)S1(=O)=O |t:7| Show InChI InChI=1S/C11H13NO3S2/c1-11(2,3)12-10(13)7-9(17(12,14)15)8-5-4-6-16-8/h4-7H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	221	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))	BDBM50524461 (CHEMBL4577142) Show SMILES CC(C)(C)N1C(=O)C=C(c2cccs2)S1(=O)=O |t:7| Show InChI InChI=1S/C11H13NO3S2/c1-11(2,3)12-10(13)7-9(17(12,14)15)8-5-4-6-16-8/h4-7H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	560	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))	BDBM50524461 (CHEMBL4577142) Show SMILES CC(C)(C)N1C(=O)C=C(c2cccs2)S1(=O)=O |t:7| Show InChI InChI=1S/C11H13NO3S2/c1-11(2,3)12-10(13)7-9(17(12,14)15)8-5-4-6-16-8/h4-7H,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))	BDBM50524461 (CHEMBL4577142) Show SMILES CC(C)(C)N1C(=O)C=C(c2cccs2)S1(=O)=O |t:7| Show InChI InChI=1S/C11H13NO3S2/c1-11(2,3)12-10(13)7-9(17(12,14)15)8-5-4-6-16-8/h4-7H,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