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SMILES: COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1

InChI Key: InChIKey=BKQQBLBVQOKEPG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50237372   

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))	BDBM50237372 (CHEMBL4089153) Show SMILES COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H20FN3O4S2/c1-12-19(30(22,26)27)29-20(23-12)24(2)17(25)11-13-7-9-14(10-8-13)15-5-4-6-16(21)18(15)28-3/h4-10H,11H2,1-3H3,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Compound was tested for inhibition of [3H]5-HT binding to Serotonin transporter in HEK cells				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50237372 (CHEMBL4089153) Show SMILES COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H20FN3O4S2/c1-12-19(30(22,26)27)29-20(23-12)24(2)17(25)11-13-7-9-14(10-8-13)15-5-4-6-16(21)18(15)28-3/h4-10H,11H2,1-3H3,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50237372 (CHEMBL4089153) Show SMILES COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H20FN3O4S2/c1-12-19(30(22,26)27)29-20(23-12)24(2)17(25)11-13-7-9-14(10-8-13)15-5-4-6-16(21)18(15)28-3/h4-10H,11H2,1-3H3,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237372 (CHEMBL4089153) Show SMILES COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H20FN3O4S2/c1-12-19(30(22,26)27)29-20(23-12)24(2)17(25)11-13-7-9-14(10-8-13)15-5-4-6-16(21)18(15)28-3/h4-10H,11H2,1-3H3,(H2,22,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human Carbonic anhydrase 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50237372 (CHEMBL4089153) Show SMILES COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H20FN3O4S2/c1-12-19(30(22,26)27)29-20(23-12)24(2)17(25)11-13-7-9-14(10-8-13)15-5-4-6-16(21)18(15)28-3/h4-10H,11H2,1-3H3,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human Carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50237372 (CHEMBL4089153) Show SMILES COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H20FN3O4S2/c1-12-19(30(22,26)27)29-20(23-12)24(2)17(25)11-13-7-9-14(10-8-13)15-5-4-6-16(21)18(15)28-3/h4-10H,11H2,1-3H3,(H2,22,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human Carbonic anhydrase 5B assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair