Compile Data Set for Download or QSAR

Found 132 hits with Last Name = 'angapelly' and Initial = 's'   

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))	BDBM50261590 (CHEMBL4059984) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC Show InChI InChI=1S/C17H18N2O5S/c1-23-15-9-3-12(11-16(15)24-2)4-10-17(20)19-13-5-7-14(8-6-13)25(18,21)22/h3-11H,1-2H3,(H,19,20)(H2,18,21,22)/b10-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50209283 (CHEMBL3885230) Show SMILES COc1ccc(cc1)[C@H]1[C@@H](N(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-18-9-4-15(5-10-18)22-23(16-6-13-20(31-2)21(14-16)32-3)26(24(22)27)17-7-11-19(12-8-17)33(25,28)29/h4-14,22-23H,1-3H3,(H2,25,28,29)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261599 (CHEMBL4100697) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2cccc(F)c2)cc1 Show InChI InChI=1S/C15H13FN2O3S/c16-12-3-1-2-11(10-12)4-9-15(19)18-13-5-7-14(8-6-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50209288 (CHEMBL3885451) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-19-13-16(14-20(31-2)23(19)32-3)22-21(15-7-5-4-6-8-15)24(27)26(22)17-9-11-18(12-10-17)33(25,28)29/h4-14,21-22H,1-3H3,(H2,25,28,29)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50209225 (CHEMBL3883807) Show SMILES COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1 |r| Show InChI InChI=1S/C22H22N2O6S2/c1-28-14-11-16(29-2)19(17(12-14)30-3)21-20(18-5-4-10-31-18)22(25)24(21)13-6-8-15(9-7-13)32(23,26)27/h4-12,20-21H,1-3H3,(H2,23,26,27)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50209287 (CHEMBL3884217) Show SMILES COc1ccc(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |r| Show InChI InChI=1S/C21H20N2O5S2/c1-27-16-10-5-13(12-17(16)28-2)20-19(18-4-3-11-29-18)21(24)23(20)14-6-8-15(9-7-14)30(22,25)26/h3-12,19-20H,1-2H3,(H2,22,25,26)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50209282 (CHEMBL3883491) Show SMILES COc1cc(OC)c(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-19-14-21(32-3)20(31-2)13-18(19)23-22(15-7-5-4-6-8-15)24(27)26(23)16-9-11-17(12-10-16)33(25,28)29/h4-14,22-23H,1-3H3,(H2,25,28,29)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50209283 (CHEMBL3885230) Show SMILES COc1ccc(cc1)[C@H]1[C@@H](N(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-18-9-4-15(5-10-18)22-23(16-6-13-20(31-2)21(14-16)32-3)26(24(22)27)17-7-11-19(12-8-17)33(25,28)29/h4-14,22-23H,1-3H3,(H2,25,28,29)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50209292 (CHEMBL3884793) Show SMILES COc1ccc(OC)c(c1)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C23H22N2O5S/c1-29-17-10-13-20(30-2)19(14-17)22-21(15-6-4-3-5-7-15)23(26)25(22)16-8-11-18(12-9-16)31(24,27)28/h3-14,21-22H,1-2H3,(H2,24,27,28)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50209289 (CHEMBL3885091) Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@H]([C@@H](C1=O)c1ccccc1)c1ccccc1OC(F)F |r| Show InChI InChI=1S/C22H18F2N2O4S/c23-22(24)30-18-9-5-4-8-17(18)20-19(14-6-2-1-3-7-14)21(27)26(20)15-10-12-16(13-11-15)31(25,28)29/h1-13,19-20,22H,(H2,25,28,29)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50209226 (CHEMBL3884755) Show SMILES COc1ccc([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c(OC)c1OC |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-19-14-13-18(22(31-2)23(19)32-3)21-20(15-7-5-4-6-8-15)24(27)26(21)16-9-11-17(12-10-16)33(25,28)29/h4-14,20-21H,1-3H3,(H2,25,28,29)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261606 (CHEMBL4089760) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2OC(F)F)cc1 Show InChI InChI=1S/C16H14F2N2O4S/c17-16(18)24-14-4-2-1-3-11(14)5-10-15(21)20-12-6-8-13(9-7-12)25(19,22)23/h1-10,16H,(H,20,21)(H2,19,22,23)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50209283 (CHEMBL3885230) Show SMILES COc1ccc(cc1)[C@H]1[C@@H](N(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-18-9-4-15(5-10-18)22-23(16-6-13-20(31-2)21(14-16)32-3)26(24(22)27)17-7-11-19(12-8-17)33(25,28)29/h4-14,22-23H,1-3H3,(H2,25,28,29)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50209286 (CHEMBL3884261) Show SMILES COc1ccc(OC)c(c1)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |r| Show InChI InChI=1S/C21H20N2O5S2/c1-27-14-7-10-17(28-2)16(12-14)20-19(18-4-3-11-29-18)21(24)23(20)13-5-8-15(9-6-13)30(22,25)26/h3-12,19-20H,1-2H3,(H2,22,25,26)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50209282 (CHEMBL3883491) Show SMILES COc1cc(OC)c(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-19-14-21(32-3)20(31-2)13-18(19)23-22(15-7-5-4-6-8-15)24(27)26(23)16-9-11-17(12-10-16)33(25,28)29/h4-14,22-23H,1-3H3,(H2,25,28,29)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50209287 (CHEMBL3884217) Show SMILES COc1ccc(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |r| Show InChI InChI=1S/C21H20N2O5S2/c1-27-16-10-5-13(12-17(16)28-2)20-19(18-4-3-11-29-18)21(24)23(20)14-6-8-15(9-7-14)30(22,25)26/h3-12,19-20H,1-2H3,(H2,22,25,26)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50209293 (CHEMBL3884597) Show SMILES COc1ccc(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C23H22N2O5S/c1-29-19-13-8-16(14-20(19)30-2)22-21(15-6-4-3-5-7-15)23(26)25(22)17-9-11-18(12-10-17)31(24,27)28/h3-14,21-22H,1-2H3,(H2,24,27,28)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50209293 (CHEMBL3884597) Show SMILES COc1ccc(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C23H22N2O5S/c1-29-19-13-8-16(14-20(19)30-2)22-21(15-6-4-3-5-7-15)23(26)25(22)17-9-11-18(12-10-17)31(24,27)28/h3-14,21-22H,1-2H3,(H2,24,27,28)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50209290 (CHEMBL3883755) Show SMILES COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c(OC)c1 |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-17-13-19(31-2)22(20(14-17)32-3)23-21(15-7-5-4-6-8-15)24(27)26(23)16-9-11-18(12-10-16)33(25,28)29/h4-14,21,23H,1-3H3,(H2,25,28,29)/t21-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50209288 (CHEMBL3885451) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-19-13-16(14-20(31-2)23(19)32-3)22-21(15-7-5-4-6-8-15)24(27)26(22)17-9-11-18(12-10-17)33(25,28)29/h4-14,21-22H,1-3H3,(H2,25,28,29)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50261606 (CHEMBL4089760) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2OC(F)F)cc1 Show InChI InChI=1S/C16H14F2N2O4S/c17-16(18)24-14-4-2-1-3-11(14)5-10-15(21)20-12-6-8-13(9-7-12)25(19,22)23/h1-10,16H,(H,20,21)(H2,19,22,23)/b10-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50261599 (CHEMBL4100697) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2cccc(F)c2)cc1 Show InChI InChI=1S/C15H13FN2O3S/c16-12-3-1-2-11(10-12)4-9-15(19)18-13-5-7-14(8-6-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b9-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50209282 (CHEMBL3883491) Show SMILES COc1cc(OC)c(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-19-14-21(32-3)20(31-2)13-18(19)23-22(15-7-5-4-6-8-15)24(27)26(23)16-9-11-17(12-10-16)33(25,28)29/h4-14,22-23H,1-3H3,(H2,25,28,29)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50261608 (CHEMBL4082708) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H13F3N2O3S/c17-16(18,19)12-4-1-11(2-5-12)3-10-15(22)21-13-6-8-14(9-7-13)25(20,23)24/h1-10H,(H,21,22)(H2,20,23,24)/b10-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50261600 (CHEMBL4098830) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C15H13FN2O3S/c16-12-4-1-11(2-5-12)3-10-15(19)18-13-6-8-14(9-7-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b10-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (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 PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50209226 (CHEMBL3884755) Show SMILES COc1ccc([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c(OC)c1OC |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-19-14-13-18(22(31-2)23(19)32-3)21-20(15-7-5-4-6-8-15)24(27)26(21)16-9-11-17(12-10-16)33(25,28)29/h4-14,20-21H,1-3H3,(H2,25,28,29)/t20-,21-/m0/s1	PDB MMDB 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
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50209225 (CHEMBL3883807) Show SMILES COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1 |r| Show InChI InChI=1S/C22H22N2O6S2/c1-28-14-11-16(29-2)19(17(12-14)30-3)21-20(18-5-4-10-31-18)22(25)24(21)13-6-8-15(9-7-13)32(23,26)27/h4-12,20-21H,1-3H3,(H2,23,26,27)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261604 (CHEMBL4075560) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H13ClN2O3S/c16-12-4-1-11(2-5-12)3-10-15(19)18-13-6-8-14(9-7-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b10-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50261605 (CHEMBL4063412) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C16H13F3N2O4S/c17-16(18,19)25-13-6-1-11(2-7-13)3-10-15(22)21-12-4-8-14(9-5-12)26(20,23)24/h1-10H,(H,21,22)(H2,20,23,24)/b10-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50261609 (CHEMBL4075764) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C16H13N3O3S/c17-11-13-3-1-12(2-4-13)5-10-16(20)19-14-6-8-15(9-7-14)23(18,21)22/h1-10H,(H,19,20)(H2,18,21,22)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50209284 (CHEMBL3884126) Show SMILES COc1cc(OC)c(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |r| Show InChI InChI=1S/C22H22N2O6S2/c1-28-16-12-18(30-3)17(29-2)11-15(16)21-20(19-5-4-10-31-19)22(25)24(21)13-6-8-14(9-7-13)32(23,26)27/h4-12,20-21H,1-3H3,(H2,23,26,27)/t20-,21-/m0/s1	PDB MMDB 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
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50209285 (CHEMBL3884696) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |r| Show InChI InChI=1S/C22H22N2O6S2/c1-28-16-11-13(12-17(29-2)21(16)30-3)20-19(18-5-4-10-31-18)22(25)24(20)14-6-8-15(9-7-14)32(23,26)27/h4-12,19-20H,1-3H3,(H2,23,26,27)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261598 (CHEMBL4081738) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H13F3N2O3S/c17-16(18,19)12-3-1-2-11(10-12)4-9-15(22)21-13-5-7-14(8-6-13)25(20,23)24/h1-10H,(H,21,22)(H2,20,23,24)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50209289 (CHEMBL3885091) Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@H]([C@@H](C1=O)c1ccccc1)c1ccccc1OC(F)F |r| Show InChI InChI=1S/C22H18F2N2O4S/c23-22(24)30-18-9-5-4-8-17(18)20-19(14-6-2-1-3-7-14)21(27)26(20)15-10-12-16(13-11-15)31(25,28)29/h1-13,19-20,22H,(H2,25,28,29)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50209225 (CHEMBL3883807) Show SMILES COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1 |r| Show InChI InChI=1S/C22H22N2O6S2/c1-28-14-11-16(29-2)19(17(12-14)30-3)21-20(18-5-4-10-31-18)22(25)24(21)13-6-8-15(9-7-13)32(23,26)27/h4-12,20-21H,1-3H3,(H2,23,26,27)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261607 (CHEMBL4068644) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(F)c(F)c2)cc1 Show InChI InChI=1S/C15H12F2N2O3S/c16-13-7-1-10(9-14(13)17)2-8-15(20)19-11-3-5-12(6-4-11)23(18,21)22/h1-9H,(H,19,20)(H2,18,21,22)/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261594 (CHEMBL4105196) Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc(OC)c1OC Show InChI InChI=1S/C18H20N2O6S/c1-24-15-10-12(11-16(25-2)18(15)26-3)4-9-17(21)20-13-5-7-14(8-6-13)27(19,22)23/h4-11H,1-3H3,(H,20,21)(H2,19,22,23)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261597 (CHEMBL4100843) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(F)c1 Show InChI InChI=1S/C16H15FN2O4S/c1-23-13-6-2-11(15(17)10-13)3-9-16(20)19-12-4-7-14(8-5-12)24(18,21)22/h2-10H,1H3,(H,19,20)(H2,18,21,22)/b9-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50261606 (CHEMBL4089760) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2OC(F)F)cc1 Show InChI InChI=1S/C16H14F2N2O4S/c17-16(18)24-14-4-2-1-3-11(14)5-10-15(21)20-12-6-8-13(9-7-12)25(19,22)23/h1-10,16H,(H,20,21)(H2,19,22,23)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50261596 (CHEMBL4072219) Show SMILES CC(C)Oc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C18H20N2O4S/c1-13(2)24-16-8-3-14(4-9-16)5-12-18(21)20-15-6-10-17(11-7-15)25(19,22)23/h3-13H,1-2H3,(H,20,21)(H2,19,22,23)/b12-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50261605 (CHEMBL4063412) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C16H13F3N2O4S/c17-16(18,19)25-13-6-1-11(2-7-13)3-10-15(22)21-12-4-8-14(9-5-12)26(20,23)24/h1-10H,(H,21,22)(H2,20,23,24)/b10-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50261597 (CHEMBL4100843) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(F)c1 Show InChI InChI=1S/C16H15FN2O4S/c1-23-13-6-2-11(15(17)10-13)3-9-16(20)19-12-4-7-14(8-5-12)24(18,21)22/h2-10H,1H3,(H,19,20)(H2,18,21,22)/b9-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261600 (CHEMBL4098830) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C15H13FN2O3S/c16-12-4-1-11(2-5-12)3-10-15(19)18-13-6-8-14(9-7-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b10-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50209284 (CHEMBL3884126) Show SMILES COc1cc(OC)c(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |r| Show InChI InChI=1S/C22H22N2O6S2/c1-28-16-12-18(30-3)17(29-2)11-15(16)21-20(19-5-4-10-31-19)22(25)24(21)13-6-8-14(9-7-13)32(23,26)27/h4-12,20-21H,1-3H3,(H2,23,26,27)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261605 (CHEMBL4063412) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C16H13F3N2O4S/c17-16(18,19)25-13-6-1-11(2-7-13)3-10-15(22)21-12-4-8-14(9-5-12)26(20,23)24/h1-10H,(H,21,22)(H2,20,23,24)/b10-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50261595 (CHEMBL4097494) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C16H16N2O4S/c1-22-14-7-2-12(3-8-14)4-11-16(19)18-13-5-9-15(10-6-13)23(17,20)21/h2-11H,1H3,(H,18,19)(H2,17,20,21)/b11-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50209224 (CHEMBL3885126) Show SMILES COc1ccc([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c(OC)c1 |r| Show InChI InChI=1S/C23H22N2O5S/c1-29-17-10-13-19(20(14-17)30-2)22-21(15-6-4-3-5-7-15)23(26)25(22)16-8-11-18(12-9-16)31(24,27)28/h3-14,21-22H,1-2H3,(H2,24,27,28)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (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	PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50209288 (CHEMBL3885451) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-19-13-16(14-20(31-2)23(19)32-3)22-21(15-7-5-4-6-8-15)24(27)26(22)17-9-11-18(12-10-17)33(25,28)29/h4-14,21-22H,1-3H3,(H2,25,28,29)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair

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