Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50046759   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50130030 (CHEMBL1885780) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCc1ccccc1 Show InChI InChI=1S/C16H17NO4S/c1-13-7-9-15(10-8-13)22(19,20)17-11-16(18)21-12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.83E+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 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...				Bioorg Med Chem 23: 7353-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.009 BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50130022 (CHEMBL1885189) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(=O)N1CCCCC1 Show InChI InChI=1S/C14H20N2O3S/c1-12-5-7-13(8-6-12)20(18,19)15-11-14(17)16-9-3-2-4-10-16/h5-8,15H,2-4,9-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93E+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 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...				Bioorg Med Chem 23: 7353-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.009 BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50129949 (CHEMBL3627999) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C23H23NO4S/c1-18-12-14-21(15-13-18)29(26,27)24-22(16-19-8-4-2-5-9-19)23(25)28-17-20-10-6-3-7-11-20/h2-15,22,24H,16-17H2,1H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.60E+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 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...				Bioorg Med Chem 23: 7353-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.009 BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50130031 (CHEMBL1569191) Show SMILES COC(=O)CNS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C10H13NO4S/c1-8-3-5-9(6-4-8)16(13,14)11-7-10(12)15-2/h3-6,11H,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5.64E+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 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...				Bioorg Med Chem 23: 7353-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.009 BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50129951 (CHEMBL3627998) Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C17H19NO4S/c1-13-8-10-15(11-9-13)23(20,21)18-16(17(19)22-2)12-14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	9.74E+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 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over...				Bioorg Med Chem 23: 7353-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.009 BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50130010 (CHEMBL3275993) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(20,21)17-15(16(18)19)11-13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3,(H,18,19)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.04E+5	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 erythrocytes using 4-nitrophenylacetate as substrate measured over...				Bioorg Med Chem 23: 7353-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.009 BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50016567 ((Toluene-4-sulfonylamino)-acetic acid | CHEMBL2874...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.44E+5	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 erythrocytes using 4-nitrophenylacetate as substrate measured over...				Bioorg Med Chem 23: 7353-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.009 BindingDB Entry DOI: 10.7270/Q2ZS2ZB2
					More data for this Ligand-Target Pair