null

SMILES: CC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccc(OS(N)(=O)=O)cc1

InChI Key: InChIKey=KDPCOXOOFWCXPK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50515811   

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))	BDBM50515811 (CHEMBL4580659) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C18H16F3N3O4S/c1-11(25)24-17(13-2-6-14(7-3-13)18(19,20)21)10-16(23-24)12-4-8-15(9-5-12)28-29(22,26)27/h2-9,17H,10H2,1H3,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.830	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 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515811 (CHEMBL4580659) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C18H16F3N3O4S/c1-11(25)24-17(13-2-6-14(7-3-13)18(19,20)21)10-16(23-24)12-4-8-15(9-5-12)28-29(22,26)27/h2-9,17H,10H2,1H3,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	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 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50515811 (CHEMBL4580659) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C18H16F3N3O4S/c1-11(25)24-17(13-2-6-14(7-3-13)18(19,20)21)10-16(23-24)12-4-8-15(9-5-12)28-29(22,26)27/h2-9,17H,10H2,1H3,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.74E+3	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 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638
					More data for this Ligand-Target Pair