BDBM50279697 CHEMBL4164295

SMILES: [#6]-[#6](=[#6])-[#6@@H]-1-[#6]-[#6]C([#6])([#8])[#6](-[#6]-1)[Se;v2]c1ccc(cc1)S([#7])(=O)=O

InChI Key: InChIKey=QWLCRIPOQCRMKJ-UWTIGNOOSA-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 = 50279697   

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))	BDBM50279697 (CHEMBL4164295) Show SMILES [#6]-[#6](=[#6])-[#6@@H]-1-[#6]-[#6]C([#6])([#8])[#6](-[#6]-1)[Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C16H23NO3SSe/c1-11(2)12-8-9-16(3,18)15(10-12)22-14-6-4-13(5-7-14)21(17,19)20/h4-7,12,15,18H,1,8-10H2,2-3H3,(H2,17,19,20)/t12-,15?,16?/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	0.180	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))	BDBM50279697 (CHEMBL4164295) Show SMILES [#6]-[#6](=[#6])-[#6@@H]-1-[#6]-[#6]C([#6])([#8])[#6](-[#6]-1)[Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C16H23NO3SSe/c1-11(2)12-8-9-16(3,18)15(10-12)22-14-6-4-13(5-7-14)21(17,19)20/h4-7,12,15,18H,1,8-10H2,2-3H3,(H2,17,19,20)/t12-,15?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.680	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50279697 (CHEMBL4164295) Show SMILES [#6]-[#6](=[#6])-[#6@@H]-1-[#6]-[#6]C([#6])([#8])[#6](-[#6]-1)[Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C16H23NO3SSe/c1-11(2)12-8-9-16(3,18)15(10-12)22-14-6-4-13(5-7-14)21(17,19)20/h4-7,12,15,18H,1,8-10H2,2-3H3,(H2,17,19,20)/t12-,15?,16?/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))	BDBM50279697 (CHEMBL4164295) Show SMILES [#6]-[#6](=[#6])-[#6@@H]-1-[#6]-[#6]C([#6])([#8])[#6](-[#6]-1)[Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C16H23NO3SSe/c1-11(2)12-8-9-16(3,18)15(10-12)22-14-6-4-13(5-7-14)21(17,19)20/h4-7,12,15,18H,1,8-10H2,2-3H3,(H2,17,19,20)/t12-,15?,16?/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	8.40	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 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))	BDBM50279697 (CHEMBL4164295) Show SMILES [#6]-[#6](=[#6])-[#6@@H]-1-[#6]-[#6]C([#6])([#8])[#6](-[#6]-1)[Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C16H23NO3SSe/c1-11(2)12-8-9-16(3,18)15(10-12)22-14-6-4-13(5-7-14)21(17,19)20/h4-7,12,15,18H,1,8-10H2,2-3H3,(H2,17,19,20)/t12-,15?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	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