BDBM50091613 CHEMBL3582348

SMILES: NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1

InChI Key: InChIKey=QAGYKUNXZHXKMR-GZJPFXJHSA-N

Data: 1 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 1 hit for monomerid = 50091613   

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))	BDBM50091613 (CHEMBL3582348) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1 Show InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26?,27-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				ACS Med Chem Lett 6: 518-22 (2015) Article DOI: 10.1021/acsmedchemlett.5b00062 BindingDB Entry DOI: 10.7270/Q2GF0W8S
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