Compile Data Set for Download or QSAR

Found 393 hits with Last Name = 'guglielmi' and Initial = 'p'   

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))	BDBM50514576 (CHEMBL4543790) Show SMILES O=C1N(C[C@@H]2CC(=NO2)c2cccs2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C15H12N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-7,10H,8-9H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514576 (CHEMBL4543790) Show SMILES O=C1N(C[C@@H]2CC(=NO2)c2cccs2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C15H12N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-7,10H,8-9H2/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143988 (CHEMBL3759518) Show SMILES CC1=CC(OCC(=O)c2ccc(Br)cc2)=NS(=O)(=O)O1 |c:15,t:1| Show InChI InChI=1S/C12H10BrNO5S/c1-8-6-12(14-20(16,17)19-8)18-7-11(15)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3	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
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143989 (CHEMBL3759567) Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)[N+]([O-])=O)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C12H10N2O7S/c1-8-6-12(16)13(22(19,20)21-8)7-11(15)9-2-4-10(5-3-9)14(17)18/h2-6H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM95979 (2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-1,1-diketo...) Show SMILES Clc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(Cl)c1 Show InChI InChI=1S/C15H9Cl2NO4S/c16-9-5-6-10(12(17)7-9)13(19)8-18-15(20)11-3-1-2-4-14(11)23(18,21)22/h1-7H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143991 (CHEMBL3758428) Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)-c2ccccc2)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C18H15NO5S/c1-13-11-18(21)19(25(22,23)24-13)12-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143993 (CHEMBL3758979) Show SMILES [O-][N+](=O)c1ccccc1SN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C13H8N2O5S2/c16-13-9-5-1-4-8-12(9)22(19,20)15(13)21-11-7-3-2-6-10(11)14(17)18/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50497151 (CHEMBL3193372) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C#N Show InChI InChI=1S/C18H19N3S/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)22-18-9-8-14(13-19)12-16(18)21/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143990 (CHEMBL3759876) Show SMILES CC1=CC(=O)N(CC(=O)c2ccc(cc2)C#N)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C13H10N2O5S/c1-9-6-13(17)15(21(18,19)20-9)8-12(16)11-4-2-10(7-14)3-5-11/h2-6H,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143902 (CHEBI:74235 | CHEMBL79350) Show SMILES O=C1NCc2ccccc12 Show InChI InChI=1S/C8H7NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-4H,5H2,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM16417 ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci...) Show SMILES OC(=O)CN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143980 (CHEMBL3758923) Show SMILES Brc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C14H10BrNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143986 (CHEMBL3758420) Show SMILES CC1=CC(=O)N(Cc2ccc(cc2)[N+]([O-])=O)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C11H10N2O6S/c1-8-6-11(14)12(20(17,18)19-8)7-9-2-4-10(5-3-9)13(15)16/h2-6H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143979 (CHEMBL3759331) Show SMILES Clc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C14H10ClNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143985 (CHEMBL3758373) Show SMILES CC1=CC(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C11H10ClNO4S/c1-8-6-11(14)13(18(15,16)17-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143977 (CHEMBL3760060) Show SMILES FC(F)(F)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-7-5-10(6-8-11)9-19-14(20)12-3-1-2-4-13(12)23(19,21)22/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143984 (CHEMBL3759099) Show SMILES CC1=CC(=O)N(Cc2ccc(F)cc2)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C11H10FNO4S/c1-8-6-11(14)13(18(15,16)17-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3	PDB MMDB 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
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143943 (CHEMBL3759375) Show SMILES Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C15H13NO3S/c1-11-6-8-12(9-7-11)10-16-15(17)13-4-2-3-5-14(13)20(16,18)19/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143992 (CHEMBL3760113) Show SMILES CC1=CC(OCC(=O)c2ccc(Cl)cc2Cl)=NS(=O)(=O)O1 |c:16,t:1| Show InChI InChI=1S/C12H9Cl2NO5S/c1-7-4-12(15-21(17,18)20-7)19-6-11(16)9-3-2-8(13)5-10(9)14/h2-5H,6H2,1H3	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
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143987 (CHEMBL3760047) Show SMILES COc1cccc(c1)C(=O)CN1C(=O)C=C(C)OS1(=O)=O |t:15| Show InChI InChI=1S/C13H13NO6S/c1-9-6-13(16)14(21(17,18)20-9)8-12(15)10-4-3-5-11(7-10)19-2/h3-7H,8H2,1-2H3	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
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143982 (CHEMBL3759447) Show SMILES COc1cccc(c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C16H13NO5S/c1-22-12-6-4-5-11(9-12)14(18)10-17-16(19)13-7-2-3-8-15(13)23(17,20)21/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514574 (CHEMBL4473283) Show SMILES COc1cccc(c1)-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1 Show InChI InChI=1S/C18H14N2O5S/c1-24-13-6-4-5-12(9-13)16-10-14(25-19-16)11-20-18(21)15-7-2-3-8-17(15)26(20,22)23/h2-10H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50283992 (CHEMBL4174116) Show SMILES C\C(=N\Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O)C1CC1 Show InChI InChI=1S/C14H14N4O2S/c1-9(10-5-6-10)16-17-14-15-13(8-21-14)11-3-2-4-12(7-11)18(19)20/h2-4,7-8,10H,5-6H2,1H3,(H,15,17)/b16-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
"G. D'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human MAO-B using kynuramine as substrate pre-incubated for 15 mins followed by 2 fold compound dilution for 24...				Eur J Med Chem 143: 1543-1552 (2018) Article DOI: 10.1016/j.ejmech.2017.10.050 BindingDB Entry DOI: 10.7270/Q27H1N3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514562 (CHEMBL4564432) Show SMILES O=C1N(Cc2cc(no2)-c2cccs2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C15H10N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-8H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514564 (CHEMBL4579267) Show SMILES O=C1N(Cc2cc(no2)-c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C17H12N2O4S/c20-17-14-8-4-5-9-16(14)24(21,22)19(17)11-13-10-15(18-23-13)12-6-2-1-3-7-12/h1-10H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514561 (CHEMBL4439121) Show SMILES COc1cccc(c1)C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-24-13-6-4-5-12(9-13)16-10-14(25-19-16)11-20-18(21)15-7-2-3-8-17(15)26(20,22)23/h2-9,14H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514563 (CHEMBL4442253) Show SMILES O=C1N(Cc2cc(no2)-c2cccnc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C16H11N3O4S/c20-16-13-5-1-2-6-15(13)24(21,22)19(16)10-12-8-14(18-23-12)11-4-3-7-17-9-11/h1-9H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514566 (CHEMBL4515899) Show SMILES COc1ccc(cc1)-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1 Show InChI InChI=1S/C18H14N2O5S/c1-24-13-8-6-12(7-9-13)16-10-14(25-19-16)11-20-18(21)15-4-2-3-5-17(15)26(20,22)23/h2-10H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM49297 (1,1-diketo-2-[[3-(4-methoxyphenyl)-2-isoxazolin-5-...) Show SMILES COc1ccc(cc1)C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-24-13-8-6-12(7-9-13)16-10-14(25-19-16)11-20-18(21)15-4-2-3-5-17(15)26(20,22)23/h2-9,14H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514562 (CHEMBL4564432) Show SMILES O=C1N(Cc2cc(no2)-c2cccs2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C15H10N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514575 (CHEMBL4470396) Show SMILES O=C1N(C[C@H]2CC(=NO2)c2cccs2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C15H12N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-7,10H,8-9H2/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514568 (CHEMBL4459292) Show SMILES O=C1N(CC2CC(=NO2)c2cccnc2)S(=O)(=O)c2ccccc12 |c:6| Show InChI InChI=1S/C16H13N3O4S/c20-16-13-5-1-2-6-15(13)24(21,22)19(16)10-12-8-14(18-23-12)11-4-3-7-17-9-11/h1-7,9,12H,8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514567 (CHEMBL4521065) Show SMILES COc1ccccc1-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1 Show InChI InChI=1S/C18H14N2O5S/c1-24-16-8-4-2-6-13(16)15-10-12(25-19-15)11-20-18(21)14-7-3-5-9-17(14)26(20,22)23/h2-10H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514573 (CHEMBL1342757) Show SMILES COc1ccccc1C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:9| Show InChI InChI=1S/C18H16N2O5S/c1-24-16-8-4-2-6-13(16)15-10-12(25-19-15)11-20-18(21)14-7-3-5-9-17(14)26(20,22)23/h2-9,12H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50514569 (CHEMBL4560568) Show SMILES O=C1N(CC2CC(=NO2)c2ccccn2)S(=O)(=O)c2ccccc12 |c:6| Show InChI InChI=1S/C16H13N3O4S/c20-16-12-5-1-2-7-15(12)24(21,22)19(16)10-11-9-14(18-23-11)13-6-3-4-8-17-13/h1-8,11H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50497152 (CHEMBL5268003) Show SMILES CC(CN1CCN(CCOCCO)CC1)CN1c2ccccc2Sc2ccccc12 Show InChI InChI=1S/C24H33N3O2S/c1-20(18-26-12-10-25(11-13-26)14-16-29-17-15-28)19-27-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)27/h2-9,20,28H,10-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50514576 (CHEMBL4543790) Show SMILES O=C1N(C[C@@H]2CC(=NO2)c2cccs2)S(=O)(=O)c2ccccc12 |r,c:6| Show InChI InChI=1S/C15H12N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-7,10H,8-9H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143905 (CHEMBL3759443) Show SMILES FC(F)(F)c1ccccc1CN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)12-7-3-1-5-10(12)9-19-14(20)11-6-2-4-8-13(11)23(19,21)22/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143904 (CHEMBL1489759) Show SMILES Cc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C15H13NO3S/c1-11-6-2-3-7-12(11)10-16-15(17)13-8-4-5-9-14(13)20(16,18)19/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143907 (CHEMBL3759629) Show SMILES FC(F)(F)c1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1 Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-5-3-4-10(8-11)9-19-14(20)12-6-1-2-7-13(12)23(19,21)22/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143993 (CHEMBL3758979) Show SMILES [O-][N+](=O)c1ccccc1SN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C13H8N2O5S2/c16-13-9-5-1-4-8-12(9)22(19,20)15(13)21-11-7-3-2-6-10(11)14(17)18/h1-8H	PDB MMDB NCI pathway 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
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143979 (CHEMBL3759331) Show SMILES Clc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C14H10ClNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2	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	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143907 (CHEMBL3759629) Show SMILES FC(F)(F)c1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1 Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)11-5-3-4-10(8-11)9-19-14(20)12-6-1-2-7-13(12)23(19,21)22/h1-8H,9H2	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	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50514566 (CHEMBL4515899) Show SMILES COc1ccc(cc1)-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1 Show InChI InChI=1S/C18H14N2O5S/c1-24-13-8-6-12(7-9-13)16-10-14(25-19-16)11-20-18(21)15-4-2-3-5-17(15)26(20,22)23/h2-10H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...				J Med Chem 63: 2470-2488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01434 BindingDB Entry DOI: 10.7270/Q27S7S4P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143980 (CHEMBL3758923) Show SMILES Brc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C14H10BrNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2	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	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50143983 (CHEMBL1391313) Show SMILES Fc1ccc(cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C15H10FNO4S/c16-11-7-5-10(6-8-11)13(18)9-17-15(19)12-3-1-2-4-14(12)22(17,20)21/h1-8H,9H2	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	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 1095-105 (2016) Article DOI: 10.1016/j.bmc.2016.01.038 BindingDB Entry DOI: 10.7270/Q27S7QNK
					More data for this Ligand-Target Pair

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