BDBM50395388 CHEMBL2164730

SMILES: NS(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=WEYGZQQLPVXLMS-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50395388   

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))	BDBM50395388 (CHEMBL2164730) Show SMILES NS(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H11N3O4S2/c8-15(11,12)7-3-1-6(2-4-7)5-10-16(9,13)14/h1-4,10H,5H2,(H2,8,11,12)(H2,9,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 55: 6776-83 (2012) Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50395388 (CHEMBL2164730) Show SMILES NS(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H11N3O4S2/c8-15(11,12)7-3-1-6(2-4-7)5-10-16(9,13)14/h1-4,10H,5H2,(H2,8,11,12)(H2,9,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 55: 6776-83 (2012) Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50395388 (CHEMBL2164730) Show SMILES NS(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H11N3O4S2/c8-15(11,12)7-3-1-6(2-4-7)5-10-16(9,13)14/h1-4,10H,5H2,(H2,8,11,12)(H2,9,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of full length human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 55: 6776-83 (2012) Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50395388 (CHEMBL2164730) Show SMILES NS(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H11N3O4S2/c8-15(11,12)7-3-1-6(2-4-7)5-10-16(9,13)14/h1-4,10H,5H2,(H2,8,11,12)(H2,9,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human CA2 using 4-nitrophenylacetate as substrate preincubated for 10 mins by spectrophotometric esterase assay				J Med Chem 55: 6776-83 (2012) Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50395388 (CHEMBL2164730) Show SMILES NS(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H11N3O4S2/c8-15(11,12)7-3-1-6(2-4-7)5-10-16(9,13)14/h1-4,10H,5H2,(H2,8,11,12)(H2,9,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of full length human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 55: 6776-83 (2012) Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50395388 (CHEMBL2164730) Show SMILES NS(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H11N3O4S2/c8-15(11,12)7-3-1-6(2-4-7)5-10-16(9,13)14/h1-4,10H,5H2,(H2,8,11,12)(H2,9,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human CA1 using 4-nitrophenylacetate as substrate preincubated for 10 mins by spectrophotometric esterase assay				J Med Chem 55: 6776-83 (2012) Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H
					More data for this Ligand-Target Pair