null

SMILES: NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2ccccc2)cc1

InChI Key: InChIKey=NGJWOXMGEOMCQL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50253242   

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 9 (Homo sapiens (Human))	BDBM50253242 (CHEMBL4080767) Show SMILES NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H13N3O3SSe/c15-21(19,20)12-8-6-11(7-9-12)16-14(22)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)(H2,16,17,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50253242 (CHEMBL4080767) Show SMILES NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H13N3O3SSe/c15-21(19,20)12-8-6-11(7-9-12)16-14(22)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)(H2,16,17,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50253242 (CHEMBL4080767) Show SMILES NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H13N3O3SSe/c15-21(19,20)12-8-6-11(7-9-12)16-14(22)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)(H2,16,17,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50253242 (CHEMBL4080767) Show SMILES NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H13N3O3SSe/c15-21(19,20)12-8-6-11(7-9-12)16-14(22)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)(H2,16,17,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair