BDBM50279696 CHEMBL4173889

SMILES: [#6]-[#6](-[#6])-[#6@H](-[#7])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O

InChI Key: InChIKey=CWGQZOZRIOMZFO-LLVKDONJSA-N

Data: 5 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 5 hits for monomerid = 50279696   

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))	BDBM50279696 (CHEMBL4173889) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C11H18N2O2SSe/c1-8(2)11(12)7-17-10-5-3-9(4-6-10)16(13,14)15/h3-6,8,11H,7,12H2,1-2H3,(H2,13,14,15)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.510	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50279696 (CHEMBL4173889) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C11H18N2O2SSe/c1-8(2)11(12)7-17-10-5-3-9(4-6-10)16(13,14)15/h3-6,8,11H,7,12H2,1-2H3,(H2,13,14,15)/t11-/m1/s1	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	2.40	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 anhydrase (Homo sapiens (Human))	BDBM50279696 (CHEMBL4173889) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C11H18N2O2SSe/c1-8(2)11(12)7-17-10-5-3-9(4-6-10)16(13,14)15/h3-6,8,11H,7,12H2,1-2H3,(H2,13,14,15)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	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))	BDBM50279696 (CHEMBL4173889) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C11H18N2O2SSe/c1-8(2)11(12)7-17-10-5-3-9(4-6-10)16(13,14)15/h3-6,8,11H,7,12H2,1-2H3,(H2,13,14,15)/t11-/m1/s1	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	93	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))	BDBM50279696 (CHEMBL4173889) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C11H18N2O2SSe/c1-8(2)11(12)7-17-10-5-3-9(4-6-10)16(13,14)15/h3-6,8,11H,7,12H2,1-2H3,(H2,13,14,15)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.32E+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 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