BDBM12414 CHEMBL27601::benzenesulfonamide::hCA inhibitor, 6

SMILES: NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=KHBQMWCZKVMBLN-UHFFFAOYSA-N

Data: 14 KI  2 IC50  10 Kd

PDB links: 9 PDB IDs match this monomer. 340 PDB IDs contain this monomer as substructures. 340 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 12414   

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 (Bos taurus)	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokushima Graduate School Curated by ChEMBL					Assay Description Binding affinity to bovine carbonic anhydrase 2				Bioorg Med Chem Lett 21: 141-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.050 BindingDB Entry DOI: 10.7270/Q2K938T6
					More data for this Ligand-Target Pair
Carbonic anhydrase (Bos taurus)	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokushima Graduate School Curated by ChEMBL					Assay Description Binding affinity to bovine carbonic anhydrase 2				Bioorg Med Chem Lett 21: 141-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.050 BindingDB Entry DOI: 10.7270/Q2K938T6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	305	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Union Life Sciences Ltd. Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method				J Med Chem 55: 3513-20 (2012) Article DOI: 10.1021/jm300203r BindingDB Entry DOI: 10.7270/Q2RX9D4X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Artvin£oruh University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate				Bioorg Med Chem Lett 22: 1352-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.069 BindingDB Entry DOI: 10.7270/Q2WH2QF4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.10E+3	-8.12	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gebze Technical University Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...				Bioorg Med Chem 23: 7353-8 (2015) BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Artvin£oruh University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate				Bioorg Med Chem Lett 22: 1352-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.069 BindingDB Entry DOI: 10.7270/Q2WH2QF4
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Artvin£oruh University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate				Bioorg Med Chem Lett 22: 1352-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.069 BindingDB Entry DOI: 10.7270/Q2WH2QF4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 1 in human RBC cells by SDS-PAGE/fluorescence gel imaging				Nat Chem Biol 5: 341-3 (2009) Article DOI: 10.1038/nchembio.157 BindingDB Entry DOI: 10.7270/Q2W37WHV
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.11E+3	-7.34	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agri Ibrahim Cecen University Curated by ChEMBL					Assay Description Inhibition of human esterase activity of carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins by spectrophotometric analysis				Bioorg Med Chem 21: 1522-5 (2013) Article DOI: 10.1016/j.bmc.2012.08.018 BindingDB Entry DOI: 10.7270/Q2NG4S0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Artvin£oruh University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate				Bioorg Med Chem Lett 22: 1352-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.069 BindingDB Entry DOI: 10.7270/Q2WH2QF4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gebze Technical University Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...				Bioorg Med Chem 23: 7353-8 (2015) BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.00E+4	-6.00	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	7.0	n/a
Vilnius University Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay				Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.25E+4	n/a	n/a	n/a	7.0	n/a
Vilnius University Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 at 37 degC and pH 7.0 by thermal shift assay				Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	6.67E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by thermal shift assay				Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.79E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay				Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.14E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay				Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.03E+3	n/a	n/a	n/a	7.0	25
University of Pennsylvania					Assay Description The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...				J Am Chem Soc 128: 3011-8 (2006) Article DOI: 10.1021/ja057257n BindingDB Entry DOI: 10.7270/Q2RR1WGF
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	660	n/a	n/a	n/a	7.0	25
University of Pennsylvania					Assay Description The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...				J Am Chem Soc 128: 3011-8 (2006) Article DOI: 10.1021/ja057257n BindingDB Entry DOI: 10.7270/Q2RR1WGF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase I (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of crude dog red blood cell carbonic anhydrase				J Med Chem 36: 2134-41 (1993) BindingDB Entry DOI: 10.7270/Q2GX49N1
					More data for this Ligand-Target Pair				3D Structure (crystal)
LDL-associated phospholipase A2 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human recombinant Lp-PLA2 using PED6 as substrate preincubated for 30 mins followed by substrate addition measured for 20 mins by fluor...				J Med Chem 59: 5356-67 (2016) BindingDB Entry DOI: 10.7270/Q2Z60R0G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	1.15E+6	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as dissociation constant by SPR...				J Med Chem 59: 4245-56 (2016) BindingDB Entry DOI: 10.7270/Q2PV6NB2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	n/a	1.14E+6	n/a	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as steady state dissociation co...				J Med Chem 59: 4245-56 (2016) BindingDB Entry DOI: 10.7270/Q2PV6NB2
					More data for this Ligand-Target Pair				3D Structure (crystal)
LDL-associated phospholipase A2 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	3.40E+6	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged Lp-PLA2 (47 to 429 residues) (unknown origin) expressed in sf21 insect cells by ITC assay				J Med Chem 59: 5356-67 (2016) BindingDB Entry DOI: 10.7270/Q2Z60R0G
					More data for this Ligand-Target Pair				3D Structure (crystal)