null

SMILES: NS(=O)(=O)c1ccc(cc1)-n1cc(Cn2ccc(=O)[nH]c2=O)nn1

InChI Key: InChIKey=YXJXEAQGRJOQNV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50280336   

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))	BDBM50280336 (CHEMBL4165727) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(Cn2ccc(=O)[nH]c2=O)nn1 Show InChI InChI=1S/C13H12N6O4S/c14-24(22,23)11-3-1-10(2-4-11)19-8-9(16-17-19)7-18-6-5-12(20)15-13(18)21/h1-6,8H,7H2,(H2,14,22,23)(H,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Effect on plasma amine oxidase (0.1 uM) after 60 min of incubation at pH 7.2				ACS Med Chem Lett 8: 1314-1319 (2017) Article DOI: 10.1021/acsmedchemlett.7b00399 BindingDB Entry DOI: 10.7270/Q29P345B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50280336 (CHEMBL4165727) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(Cn2ccc(=O)[nH]c2=O)nn1 Show InChI InChI=1S/C13H12N6O4S/c14-24(22,23)11-3-1-10(2-4-11)19-8-9(16-17-19)7-18-6-5-12(20)15-13(18)21/h1-6,8H,7H2,(H2,14,22,23)(H,15,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	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 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1314-1319 (2017) Article DOI: 10.1021/acsmedchemlett.7b00399 BindingDB Entry DOI: 10.7270/Q29P345B
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50280336 (CHEMBL4165727) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(Cn2ccc(=O)[nH]c2=O)nn1 Show InChI InChI=1S/C13H12N6O4S/c14-24(22,23)11-3-1-10(2-4-11)19-8-9(16-17-19)7-18-6-5-12(20)15-13(18)21/h1-6,8H,7H2,(H2,14,22,23)(H,15,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Effect on plasma amine oxidase (0.1 uM) after 0 min of incubation at pH 7.2				ACS Med Chem Lett 8: 1314-1319 (2017) Article DOI: 10.1021/acsmedchemlett.7b00399 BindingDB Entry DOI: 10.7270/Q29P345B
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50280336 (CHEMBL4165727) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(Cn2ccc(=O)[nH]c2=O)nn1 Show InChI InChI=1S/C13H12N6O4S/c14-24(22,23)11-3-1-10(2-4-11)19-8-9(16-17-19)7-18-6-5-12(20)15-13(18)21/h1-6,8H,7H2,(H2,14,22,23)(H,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	387	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 4 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1314-1319 (2017) Article DOI: 10.1021/acsmedchemlett.7b00399 BindingDB Entry DOI: 10.7270/Q29P345B
					More data for this Ligand-Target Pair