BDBM50317397 5-(Aminosulfonyl)-N-ethyl-2-(phenylthio)nicotinamide::CHEMBL1086703

SMILES: CCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O

InChI Key: InChIKey=PWAINXTYUTUOAR-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 = 50317397   

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))	BDBM50317397 (5-(Aminosulfonyl)-N-ethyl-2-(phenylthio)nicotinami...) Show SMILES CCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H15N3O3S2/c1-2-16-13(18)12-8-11(22(15,19)20)9-17-14(12)21-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,18)(H2,15,19,20)	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	20	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))	BDBM50317397 (5-(Aminosulfonyl)-N-ethyl-2-(phenylthio)nicotinami...) Show SMILES CCNC(=O)c1cc(cnc1Sc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C14H15N3O3S2/c1-2-16-13(18)12-8-11(22(15,19)20)9-17-14(12)21-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,18)(H2,15,19,20)	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	283	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)