null

SMILES: NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)cc1

InChI Key: InChIKey=NESPBDIIPPWXAO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50116587   

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))	BDBM50116587 (CHEMBL3609480) Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C17H18F3N5O3S/c18-17(19,20)12-1-6-15(22-11-12)24-7-9-25(10-8-24)16(26)23-13-2-4-14(5-3-13)29(21,27)28/h1-6,11H,7-10H2,(H,23,26)(H2,21,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50116587 (CHEMBL3609480) Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C17H18F3N5O3S/c18-17(19,20)12-1-6-15(22-11-12)24-7-9-25(10-8-24)16(26)23-13-2-4-14(5-3-13)29(21,27)28/h1-6,11H,7-10H2,(H,23,26)(H2,21,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50116587 (CHEMBL3609480) Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C17H18F3N5O3S/c18-17(19,20)12-1-6-15(22-11-12)24-7-9-25(10-8-24)16(26)23-13-2-4-14(5-3-13)29(21,27)28/h1-6,11H,7-10H2,(H,23,26)(H2,21,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	509	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50116587 (CHEMBL3609480) Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C17H18F3N5O3S/c18-17(19,20)12-1-6-15(22-11-12)24-7-9-25(10-8-24)16(26)23-13-2-4-14(5-3-13)29(21,27)28/h1-6,11H,7-10H2,(H,23,26)(H2,21,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	514	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 25: 3850-3 (2015) BindingDB Entry DOI: 10.7270/Q20Z752W
					More data for this Ligand-Target Pair