BDBM50525467 CHEMBL4450307

SMILES: NS(=O)(=O)Oc1ccc(NC2=NC(=O)\C(S2)=C/c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=QKVSDEQVGQXWCS-NTEUORMPSA-N

Data: 2 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 2 hits for monomerid = 50525467   

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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50525467 (CHEMBL4450307) Show SMILES NS(=O)(=O)Oc1ccc(NC2=NC(=O)\C(S2)=C/c2ccc(Cl)cc2)cc1 |t:10| Show InChI InChI=1S/C16H12ClN3O4S2/c17-11-3-1-10(2-4-11)9-14-15(21)20-16(25-14)19-12-5-7-13(8-6-12)24-26(18,22)23/h1-9H,(H2,18,22,23)(H,19,20,21)/b14-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9				Eur J Med Chem 179: 257-271 (2019) Article DOI: 10.1016/j.ejmech.2019.06.052
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50525467 (CHEMBL4450307) Show SMILES NS(=O)(=O)Oc1ccc(NC2=NC(=O)\C(S2)=C/c2ccc(Cl)cc2)cc1 |t:10| Show InChI InChI=1S/C16H12ClN3O4S2/c17-11-3-1-10(2-4-11)9-14-15(21)20-16(25-14)19-12-5-7-13(8-6-12)24-26(18,22)23/h1-9H,(H2,18,22,23)(H,19,20,21)/b14-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Eur J Med Chem 179: 257-271 (2019) Article DOI: 10.1016/j.ejmech.2019.06.052
					More data for this Ligand-Target Pair