BDBM50317403 5-(Aminosulfonyl)-N-(pyridin-2-ylmethyl)-2-[(2,3,5,6-tetrafluorophenyl)thio]nicotinamide::CHEMBL1098839

SMILES: NS(=O)(=O)c1cnc(Sc2c(F)c(F)cc(F)c2F)c(c1)C(=O)NCc1ccccn1

InChI Key: InChIKey=UCCQGLWDGDGAGF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50317403   

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))	BDBM50317403 (5-(Aminosulfonyl)-N-(pyridin-2-ylmethyl)-2-[(2,3,5...) Show SMILES NS(=O)(=O)c1cnc(Sc2c(F)c(F)cc(F)c2F)c(c1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C18H12F4N4O3S2/c19-12-6-13(20)15(22)16(14(12)21)30-18-11(5-10(8-26-18)31(23,28)29)17(27)25-7-9-3-1-2-4-24-9/h1-6,8H,7H2,(H,25,27)(H2,23,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 2				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50317403 (5-(Aminosulfonyl)-N-(pyridin-2-ylmethyl)-2-[(2,3,5...) Show SMILES NS(=O)(=O)c1cnc(Sc2c(F)c(F)cc(F)c2F)c(c1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C18H12F4N4O3S2/c19-12-6-13(20)15(22)16(14(12)21)30-18-11(5-10(8-26-18)31(23,28)29)17(27)25-7-9-3-1-2-4-24-9/h1-6,8H,7H2,(H,25,27)(H2,23,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (docked)