BDBM50317406 5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-[(3-fluorophe-nyl)thio]nicotinamide::CHEMBL1095204

SMILES: COCCCNC(=O)c1cc(cnc1Sc1cccc(F)c1)S(N)(=O)=O

InChI Key: InChIKey=CTPNBKNKDDNPCB-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 = 50317406   

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 4 (Homo sapiens (Human))	BDBM50317406 (5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-[(3-fluoro...) Show SMILES COCCCNC(=O)c1cc(cnc1Sc1cccc(F)c1)S(N)(=O)=O Show InChI InChI=1S/C16H18FN3O4S2/c1-24-7-3-6-19-15(21)14-9-13(26(18,22)23)10-20-16(14)25-12-5-2-4-11(17)8-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,19,21)(H2,18,22,23)	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	118	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)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50317406 (5-(Aminosulfonyl)-N-(3-methoxypropyl)-2-[(3-fluoro...) Show SMILES COCCCNC(=O)c1cc(cnc1Sc1cccc(F)c1)S(N)(=O)=O Show InChI InChI=1S/C16H18FN3O4S2/c1-24-7-3-6-19-15(21)14-9-13(26(18,22)23)10-20-16(14)25-12-5-2-4-11(17)8-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,19,21)(H2,18,22,23)	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	25.8	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