Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50047549   

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 12 (Homo sapiens (Human))	BDBM50174518 (CHEMBL3809038) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccccc1 Show InChI InChI=1S/C22H17N5O2S/c23-30(28,29)17-12-10-16(11-13-17)27-14-18(21(26-27)15-6-2-1-3-7-15)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)(H2,23,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50174426 (CHEMBL3808553) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H16ClN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50174429 (CHEMBL3808953) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H16FN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50174441 (CHEMBL3809086) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H16BrN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50174348 (CHEMBL3810298) Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C23H19N5O2S/c1-15-6-8-16(9-7-15)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)17-10-12-18(13-11-17)31(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50174426 (CHEMBL3808553) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H16ClN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50174518 (CHEMBL3809038) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccccc1 Show InChI InChI=1S/C22H17N5O2S/c23-30(28,29)17-12-10-16(11-13-17)27-14-18(21(26-27)15-6-2-1-3-7-15)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)(H2,23,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50174429 (CHEMBL3808953) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H16FN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50174436 (CHEMBL3809966) Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C23H19N5O3S/c1-31-17-10-6-15(7-11-17)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)16-8-12-18(13-9-16)32(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50174436 (CHEMBL3809966) Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C23H19N5O3S/c1-31-17-10-6-15(7-11-17)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)16-8-12-18(13-9-16)32(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					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
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50174520 (CHEMBL3809267) Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H18N4/c1-16-11-13-17(14-12-16)22-19(15-27(26-22)18-7-3-2-4-8-18)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50174350 (CHEMBL3613514) Show SMILES c1c(-c2nc3ccccc3[nH]2)c(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50174528 (CHEMBL3613534) Show SMILES Clc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H15ClN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,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	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50174441 (CHEMBL3809086) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H16BrN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50174418 (CHEMBL3613524) Show SMILES Fc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H15FN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50174348 (CHEMBL3810298) Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C23H19N5O2S/c1-15-6-8-16(9-7-15)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)17-10-12-18(13-11-17)31(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50174347 (CHEMBL3613544) Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H18N4O/c1-28-18-13-11-16(12-14-18)22-19(15-27(26-22)17-7-3-2-4-8-17)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					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
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50174528 (CHEMBL3613534) Show SMILES Clc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H15ClN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50174520 (CHEMBL3809267) Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H18N4/c1-16-11-13-17(14-12-16)22-19(15-27(26-22)18-7-3-2-4-8-18)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50174518 (CHEMBL3809038) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccccc1 Show InChI InChI=1S/C22H17N5O2S/c23-30(28,29)17-12-10-16(11-13-17)27-14-18(21(26-27)15-6-2-1-3-7-15)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)(H2,23,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (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	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50174436 (CHEMBL3809966) Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C23H19N5O3S/c1-31-17-10-6-15(7-11-17)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)16-8-12-18(13-9-16)32(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50174441 (CHEMBL3809086) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H16BrN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50174518 (CHEMBL3809038) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccccc1 Show InChI InChI=1S/C22H17N5O2S/c23-30(28,29)17-12-10-16(11-13-17)27-14-18(21(26-27)15-6-2-1-3-7-15)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)(H2,23,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50174429 (CHEMBL3808953) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H16FN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50174348 (CHEMBL3810298) Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C23H19N5O2S/c1-15-6-8-16(9-7-15)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)17-10-12-18(13-11-17)31(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50174347 (CHEMBL3613544) Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H18N4O/c1-28-18-13-11-16(12-14-18)22-19(15-27(26-22)17-7-3-2-4-8-17)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50174348 (CHEMBL3810298) Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C23H19N5O2S/c1-15-6-8-16(9-7-15)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)17-10-12-18(13-11-17)31(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50174349 (CHEMBL3809848) Show SMILES Brc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H15BrN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50174350 (CHEMBL3613514) Show SMILES c1c(-c2nc3ccccc3[nH]2)c(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50174418 (CHEMBL3613524) Show SMILES Fc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H15FN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,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	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50174426 (CHEMBL3808553) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H16ClN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50174349 (CHEMBL3809848) Show SMILES Brc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H15BrN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50174429 (CHEMBL3808953) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H16FN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50174426 (CHEMBL3808553) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H16ClN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					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
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50174436 (CHEMBL3809966) Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C23H19N5O3S/c1-31-17-10-6-15(7-11-17)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)16-8-12-18(13-9-16)32(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	554	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50174441 (CHEMBL3809086) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2nc3ccccc3[nH]2)c(n1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H16BrN5O2S/c23-15-7-5-14(6-8-15)21-18(22-25-19-3-1-2-4-20(19)26-22)13-28(27-21)16-9-11-17(12-10-16)31(24,29)30/h1-13H,(H,25,26)(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	642	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50174349 (CHEMBL3809848) Show SMILES Brc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H15BrN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50174418 (CHEMBL3613524) Show SMILES Fc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H15FN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50174350 (CHEMBL3613514) Show SMILES c1c(-c2nc3ccccc3[nH]2)c(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50174520 (CHEMBL3809267) Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H18N4/c1-16-11-13-17(14-12-16)22-19(15-27(26-22)18-7-3-2-4-8-18)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50174347 (CHEMBL3613544) Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H18N4O/c1-28-18-13-11-16(12-14-18)22-19(15-27(26-22)17-7-3-2-4-8-17)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50174418 (CHEMBL3613524) Show SMILES Fc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H15FN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50174347 (CHEMBL3613544) Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H18N4O/c1-28-18-13-11-16(12-14-18)22-19(15-27(26-22)17-7-3-2-4-8-17)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50174349 (CHEMBL3809848) Show SMILES Brc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H15BrN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50174528 (CHEMBL3613534) Show SMILES Clc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C22H15ClN4/c23-16-12-10-15(11-13-16)21-18(14-27(26-21)17-6-2-1-3-7-17)22-24-19-8-4-5-9-20(19)25-22/h1-14H,(H,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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50174520 (CHEMBL3809267) Show SMILES Cc1ccc(cc1)-c1nn(cc1-c1nc2ccccc2[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H18N4/c1-16-11-13-17(14-12-16)22-19(15-27(26-22)18-7-3-2-4-8-18)23-24-20-9-5-6-10-21(20)25-23/h2-15H,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
					More data for this Ligand-Target Pair

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