BDBM50279705 CHEMBL4161289

SMILES: [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1

InChI Key: InChIKey=HSNPAACMOXRSQS-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50279705   

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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50279705 (CHEMBL4161289) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1213-1217 (2017) Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50279705 (CHEMBL4161289) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon dioxide hydration assay				ACS Med Chem Lett 9: 462-467 (2018) Article DOI: 10.1021/acsmedchemlett.8b00076 BindingDB Entry DOI: 10.7270/Q2319ZFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50279705 (CHEMBL4161289) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5B after 15 mins by stopped flow carbon dioxide hydration assay				ACS Med Chem Lett 9: 462-467 (2018) Article DOI: 10.1021/acsmedchemlett.8b00076 BindingDB Entry DOI: 10.7270/Q2319ZFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50279705 (CHEMBL4161289) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay				ACS Med Chem Lett 9: 462-467 (2018) Article DOI: 10.1021/acsmedchemlett.8b00076 BindingDB Entry DOI: 10.7270/Q2319ZFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50279705 (CHEMBL4161289) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow carbon dioxide hydration assay				ACS Med Chem Lett 9: 462-467 (2018) Article DOI: 10.1021/acsmedchemlett.8b00076 BindingDB Entry DOI: 10.7270/Q2319ZFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50279705 (CHEMBL4161289) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1213-1217 (2017) Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50279705 (CHEMBL4161289) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay				ACS Med Chem Lett 9: 462-467 (2018) Article DOI: 10.1021/acsmedchemlett.8b00076 BindingDB Entry DOI: 10.7270/Q2319ZFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50279705 (CHEMBL4161289) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1213-1217 (2017) Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50279705 (CHEMBL4161289) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	298	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1213-1217 (2017) Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50279705 (CHEMBL4161289) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1213-1217 (2017) Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50279705 (CHEMBL4161289) Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow carbon dioxide hydration assay				ACS Med Chem Lett 9: 462-467 (2018) Article DOI: 10.1021/acsmedchemlett.8b00076 BindingDB Entry DOI: 10.7270/Q2319ZFQ
					More data for this Ligand-Target Pair