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SMILES: Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O

InChI Key: InChIKey=KEDGGDPDYMWVEJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50532431   

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 9 (Homo sapiens (Human))	BDBM50532431 (CHEMBL4471505) Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O Show InChI InChI=1S/C14H9BrN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay				J Med Chem 59: 6547-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00616
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50532431 (CHEMBL4471505) Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O Show InChI InChI=1S/C14H9BrN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay				J Med Chem 59: 6547-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00616
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50532431 (CHEMBL4471505) Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O Show InChI InChI=1S/C14H9BrN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				J Med Chem 59: 6547-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00616
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50532431 (CHEMBL4471505) Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O Show InChI InChI=1S/C14H9BrN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				J Med Chem 59: 6547-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00616
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50532431 (CHEMBL4471505) Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O Show InChI InChI=1S/C14H9BrN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	273	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay				J Med Chem 59: 6547-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00616
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50532431 (CHEMBL4471505) Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O Show InChI InChI=1S/C14H9BrN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	273	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay				J Med Chem 59: 6547-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00616
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50532431 (CHEMBL4471505) Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O Show InChI InChI=1S/C14H9BrN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				J Med Chem 59: 6547-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00616
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50532431 (CHEMBL4471505) Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O Show InChI InChI=1S/C14H9BrN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				J Med Chem 59: 6547-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00616
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50532431 (CHEMBL4471505) Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O Show InChI InChI=1S/C14H9BrN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				J Med Chem 59: 6547-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00616
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50532431 (CHEMBL4471505) Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)NS2(=O)=O Show InChI InChI=1S/C14H9BrN2O4S/c15-9-3-1-2-8(6-9)13(18)16-10-4-5-12-11(7-10)14(19)17-22(12,20)21/h1-7H,(H,16,18)(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				J Med Chem 59: 6547-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00616
					More data for this Ligand-Target Pair