BDBM50114854 CHEMBL3608891

SMILES: NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C1CC1

InChI Key: InChIKey=DPYWLFJZXMRTTL-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 = 50114854   

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 2 (Homo sapiens (Human))	BDBM50114854 (CHEMBL3608891) Show SMILES NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C1CC1 Show InChI InChI=1S/C10H10N2O3S2/c11-17(13,14)9-3-7(5-16-9)8-4-12-10(15-8)6-1-2-6/h3-6H,1-2H2,(H2,11,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	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 12 (Homo sapiens (Human))	BDBM50114854 (CHEMBL3608891) Show SMILES NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C1CC1 Show InChI InChI=1S/C10H10N2O3S2/c11-17(13,14)9-3-7(5-16-9)8-4-12-10(15-8)6-1-2-6/h3-6H,1-2H2,(H2,11,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.70	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 9 (Homo sapiens (Human))	BDBM50114854 (CHEMBL3608891) Show SMILES NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C1CC1 Show InChI InChI=1S/C10H10N2O3S2/c11-17(13,14)9-3-7(5-16-9)8-4-12-10(15-8)6-1-2-6/h3-6H,1-2H2,(H2,11,13,14)	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	13	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 1 (Homo sapiens (Human))	BDBM50114854 (CHEMBL3608891) Show SMILES NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C1CC1 Show InChI InChI=1S/C10H10N2O3S2/c11-17(13,14)9-3-7(5-16-9)8-4-12-10(15-8)6-1-2-6/h3-6H,1-2H2,(H2,11,13,14)	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	22	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