BDBM50429226 CHEMBL2332771

SMILES: NS(=O)(=O)c1cccc(c1)N1S(=O)(=O)c2ccccc2S1(=O)=O

InChI Key: InChIKey=CUADQAQEEQKSCS-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 = 50429226   

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 1 (Homo sapiens (Human))	BDBM50429226 (CHEMBL2332771) Show SMILES NS(=O)(=O)c1cccc(c1)N1S(=O)(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C12H10N2O6S3/c13-21(15,16)10-5-3-4-9(8-10)14-22(17,18)11-6-1-2-7-12(11)23(14,19)20/h1-8H,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay				Bioorg Med Chem 21: 1386-91 (2013) Article DOI: 10.1016/j.bmc.2012.12.037 BindingDB Entry DOI: 10.7270/Q2474C61
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50429226 (CHEMBL2332771) Show SMILES NS(=O)(=O)c1cccc(c1)N1S(=O)(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C12H10N2O6S3/c13-21(15,16)10-5-3-4-9(8-10)14-22(17,18)11-6-1-2-7-12(11)23(14,19)20/h1-8H,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay				Bioorg Med Chem 21: 1386-91 (2013) Article DOI: 10.1016/j.bmc.2012.12.037 BindingDB Entry DOI: 10.7270/Q2474C61
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50429226 (CHEMBL2332771) Show SMILES NS(=O)(=O)c1cccc(c1)N1S(=O)(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C12H10N2O6S3/c13-21(15,16)10-5-3-4-9(8-10)14-22(17,18)11-6-1-2-7-12(11)23(14,19)20/h1-8H,(H2,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay				Bioorg Med Chem 21: 1386-91 (2013) Article DOI: 10.1016/j.bmc.2012.12.037 BindingDB Entry DOI: 10.7270/Q2474C61
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50429226 (CHEMBL2332771) Show SMILES NS(=O)(=O)c1cccc(c1)N1S(=O)(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C12H10N2O6S3/c13-21(15,16)10-5-3-4-9(8-10)14-22(17,18)11-6-1-2-7-12(11)23(14,19)20/h1-8H,(H2,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay				Bioorg Med Chem 21: 1386-91 (2013) Article DOI: 10.1016/j.bmc.2012.12.037 BindingDB Entry DOI: 10.7270/Q2474C61
					More data for this Ligand-Target Pair