BDBM50430549 CHEMBL2313213

SMILES: NS(=O)(=O)c1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1

InChI Key: InChIKey=XJZGVGGXZKPYHH-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50430549   

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))	BDBM50430549 (CHEMBL2313213) Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1 Show InChI InChI=1S/C20H16N4O2S/c21-27(25,26)16-12-10-15(11-13-16)22-20-18-9-5-4-8-17(18)19(23-24-20)14-6-2-1-3-7-14/h1-13H,(H,22,24)(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 62: 597-604 (2013) Article DOI: 10.1016/j.ejmech.2013.01.030 BindingDB Entry DOI: 10.7270/Q2X92CNX
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50430549 (CHEMBL2313213) Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1 Show InChI InChI=1S/C20H16N4O2S/c21-27(25,26)16-12-10-15(11-13-16)22-20-18-9-5-4-8-17(18)19(23-24-20)14-6-2-1-3-7-14/h1-13H,(H,22,24)(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 62: 597-604 (2013) Article DOI: 10.1016/j.ejmech.2013.01.030 BindingDB Entry DOI: 10.7270/Q2X92CNX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50430549 (CHEMBL2313213) Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1 Show InChI InChI=1S/C20H16N4O2S/c21-27(25,26)16-12-10-15(11-13-16)22-20-18-9-5-4-8-17(18)19(23-24-20)14-6-2-1-3-7-14/h1-13H,(H,22,24)(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 62: 597-604 (2013) Article DOI: 10.1016/j.ejmech.2013.01.030 BindingDB Entry DOI: 10.7270/Q2X92CNX
					More data for this Ligand-Target Pair