null

SMILES: FC(F)(F)c1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)S(=O)(=O)Nc2cncs2)n1

InChI Key: InChIKey=OXRHDQVFZDVXND-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50544890   

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 12 (Homo sapiens (Human))	BDBM50544890 (CHEMBL4648386) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)S(=O)(=O)Nc2cncs2)n1 Show InChI InChI=1S/C22H16F3N5O3S3/c23-22(24,25)15-3-1-14(2-4-15)18(31)12-34-21-27-10-9-19(29-21)28-16-5-7-17(8-6-16)36(32,33)30-20-11-26-13-35-20/h1-11,13,30H,12H2,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopped-flow CO2...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50544890 (CHEMBL4648386) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)S(=O)(=O)Nc2cncs2)n1 Show InChI InChI=1S/C22H16F3N5O3S3/c23-22(24,25)15-3-1-14(2-4-15)18(31)12-34-21-27-10-9-19(29-21)28-16-5-7-17(8-6-16)36(32,33)30-20-11-26-13-35-20/h1-11,13,30H,12H2,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Centre Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopp...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50544890 (CHEMBL4648386) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)S(=O)(=O)Nc2cncs2)n1 Show InChI InChI=1S/C22H16F3N5O3S3/c23-22(24,25)15-3-1-14(2-4-15)18(31)12-34-21-27-10-9-19(29-21)28-16-5-7-17(8-6-16)36(32,33)30-20-11-26-13-35-20/h1-11,13,30H,12H2,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	8.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopped-flow CO2 ...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50544890 (CHEMBL4648386) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)S(=O)(=O)Nc2cncs2)n1 Show InChI InChI=1S/C22H16F3N5O3S3/c23-22(24,25)15-3-1-14(2-4-15)18(31)12-34-21-27-10-9-19(29-21)28-16-5-7-17(8-6-16)36(32,33)30-20-11-26-13-35-20/h1-11,13,30H,12H2,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Centre Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopped-flow CO2 ...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair