Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50047016   

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))	BDBM50143813 (CHEMBL3759894) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C22H23N3O3S/c23-29(27,28)20-12-10-19(11-13-20)25-22(26)15-14-21(24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-16H,1-5H2,(H2,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143808 (CHEMBL3759134) Show SMILES CCCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O3S/c1-2-3-14-4-6-15(7-5-14)18-12-13-19(23)22(21-18)16-8-10-17(11-9-16)26(20,24)25/h4-13H,2-3H2,1H3,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50143812 (CHEMBL3760118) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H17N3O4S/c23-30(27,28)20-12-8-17(9-13-20)25-22(26)15-14-21(24-25)16-6-10-19(11-7-16)29-18-4-2-1-3-5-18/h1-15H,(H2,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143812 (CHEMBL3760118) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H17N3O4S/c23-30(27,28)20-12-8-17(9-13-20)25-22(26)15-14-21(24-25)16-6-10-19(11-7-16)29-18-4-2-1-3-5-18/h1-15H,(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50143814 (CHEMBL3758784) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(I)cc1 Show InChI InChI=1S/C16H12IN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50143807 (CHEMBL3758698) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C23H19N3O3S/c24-30(28,29)21-12-10-20(11-13-21)26-23(27)15-14-22(25-26)19-8-6-18(7-9-19)16-17-4-2-1-3-5-17/h1-15H,16H2,(H2,24,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50143806 (CHEMBL3760111) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCCCc2c1 Show InChI InChI=1S/C20H19N3O3S/c21-27(25,26)18-9-7-17(8-10-18)23-20(24)12-11-19(22-23)16-6-5-14-3-1-2-4-15(14)13-16/h5-13H,1-4H2,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50143810 (CHEMBL3758504) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCCc2c1 Show InChI InChI=1S/C19H17N3O3S/c20-26(24,25)17-8-6-16(7-9-17)22-19(23)11-10-18(21-22)15-5-4-13-2-1-3-14(13)12-15/h4-12H,1-3H2,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143811 (CHEMBL3759464) Show SMILES CCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H17N3O4S/c1-2-25-15-7-3-13(4-8-15)17-11-12-18(22)21(20-17)14-5-9-16(10-6-14)26(19,23)24/h3-12H,2H2,1H3,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50143815 (CHEMBL3759883) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C16H12FN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143809 (CHEMBL3759757) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCc3cccc1c23 Show InChI InChI=1S/C22H17N3O3S/c23-29(27,28)17-9-7-16(8-10-17)25-21(26)13-12-20(24-25)18-11-6-15-5-4-14-2-1-3-19(18)22(14)15/h1-3,6-13H,4-5H2,(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50143811 (CHEMBL3759464) Show SMILES CCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H17N3O4S/c1-2-25-15-7-3-13(4-8-15)17-11-12-18(22)21(20-17)14-5-9-16(10-6-14)26(19,23)24/h3-12H,2H2,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50143808 (CHEMBL3759134) Show SMILES CCCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O3S/c1-2-3-14-4-6-15(7-5-14)18-12-13-19(23)22(21-18)16-8-10-17(11-9-16)26(20,24)25/h4-13H,2-3H2,1H3,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50143809 (CHEMBL3759757) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCc3cccc1c23 Show InChI InChI=1S/C22H17N3O3S/c23-29(27,28)17-9-7-16(8-10-17)25-21(26)13-12-20(24-25)18-11-6-15-5-4-14-2-1-3-19(18)22(14)15/h1-3,6-13H,4-5H2,(H2,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143814 (CHEMBL3758784) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(I)cc1 Show InChI InChI=1S/C16H12IN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50143816 (CHEMBL3758388) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C16H12BrN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143815 (CHEMBL3759883) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(F)cc1 Show InChI InChI=1S/C16H12FN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143810 (CHEMBL3758504) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCCc2c1 Show InChI InChI=1S/C19H17N3O3S/c20-26(24,25)17-8-6-16(7-9-17)22-19(23)11-10-18(21-22)15-5-4-13-2-1-3-14(13)12-15/h4-12H,1-3H2,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143805 (CHEMBL3759344) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C16H11F2N3O3S/c17-13-6-1-10(9-14(13)18)15-7-8-16(22)21(20-15)11-2-4-12(5-3-11)25(19,23)24/h1-9H,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143813 (CHEMBL3759894) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C22H23N3O3S/c23-29(27,28)20-12-10-19(11-13-20)25-22(26)15-14-21(24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-16H,1-5H2,(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50143805 (CHEMBL3759344) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C16H11F2N3O3S/c17-13-6-1-10(9-14(13)18)15-7-8-16(22)21(20-15)11-2-4-12(5-3-11)25(19,23)24/h1-9H,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143806 (CHEMBL3760111) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCCCc2c1 Show InChI InChI=1S/C20H19N3O3S/c21-27(25,26)18-9-7-17(8-10-18)23-20(24)12-11-19(22-23)16-6-5-14-3-1-2-4-15(14)13-16/h5-13H,1-4H2,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143816 (CHEMBL3758388) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C16H12BrN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143807 (CHEMBL3758698) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C23H19N3O3S/c24-30(28,29)21-12-10-20(11-13-21)26-23(27)15-14-22(25-26)19-8-6-18(7-9-19)16-17-4-2-1-3-5-17/h1-15H,16H2,(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
					More data for this Ligand-Target Pair				3D Structure (crystal)