null

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1

InChI Key: InChIKey=ZDOBTWPNIVHJSZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50239282   

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))	BDBM50239282 (CHEMBL4099267) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1 Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				J Med Chem 60: 4316-4326 (2017) Article DOI: 10.1021/acs.jmedchem.7b00264 BindingDB Entry DOI: 10.7270/Q2RB76RW
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50239282 (CHEMBL4099267) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1 Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				J Med Chem 60: 4316-4326 (2017) Article DOI: 10.1021/acs.jmedchem.7b00264 BindingDB Entry DOI: 10.7270/Q2RB76RW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50239282 (CHEMBL4099267) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1 Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				J Med Chem 60: 4316-4326 (2017) Article DOI: 10.1021/acs.jmedchem.7b00264 BindingDB Entry DOI: 10.7270/Q2RB76RW
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50239282 (CHEMBL4099267) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1 Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				J Med Chem 60: 4316-4326 (2017) Article DOI: 10.1021/acs.jmedchem.7b00264 BindingDB Entry DOI: 10.7270/Q2RB76RW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50239282 (CHEMBL4099267) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1 Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				J Med Chem 60: 4316-4326 (2017) Article DOI: 10.1021/acs.jmedchem.7b00264 BindingDB Entry DOI: 10.7270/Q2RB76RW
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50239282 (CHEMBL4099267) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1 Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				J Med Chem 60: 4316-4326 (2017) Article DOI: 10.1021/acs.jmedchem.7b00264 BindingDB Entry DOI: 10.7270/Q2RB76RW
					More data for this Ligand-Target Pair