Compile Data Set for Download or QSAR

Found 5186 hits with Last Name = 'nocentini' and Initial = 'a'   

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))	BDBM50523342 (CHEMBL4527427) Show SMILES Cc1nn(-c2ccc(cc2)S(N)(=O)=O)c(=O)c2ccccc12 Show InChI InChI=1S/C15H13N3O3S/c1-10-13-4-2-3-5-14(13)15(19)18(17-10)11-6-8-12(9-7-11)22(16,20)21/h2-9H,1H3,(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50523332 (CHEMBL4569531) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(N2CCCCCC2)c(Cl)c1=O Show InChI InChI=1S/C16H19ClN4O3S/c17-15-14(20-9-3-1-2-4-10-20)11-19-21(16(15)22)12-5-7-13(8-6-12)25(18,23)24/h5-8,11H,1-4,9-10H2,(H2,18,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50523339 (CHEMBL4542010) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(N2CCOCC2)c(Cl)c1=O Show InChI InChI=1S/C14H15ClN4O4S/c15-13-12(18-5-7-23-8-6-18)9-17-19(14(13)20)10-1-3-11(4-2-10)24(16,21)22/h1-4,9H,5-8H2,(H2,16,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50523344 (CHEMBL4566532) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(cc1=O)N1CCCCCC1 Show InChI InChI=1S/C16H20N4O3S/c17-24(22,23)15-7-5-13(6-8-15)20-16(21)11-14(12-18-20)19-9-3-1-2-4-10-19/h5-8,11-12H,1-4,9-10H2,(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50523348 (CHEMBL4519564) Show SMILES COc1ccc(cc1)C1=NN(C(=O)CC1)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C17H17N3O4S/c1-24-14-6-2-12(3-7-14)16-10-11-17(21)20(19-16)13-4-8-15(9-5-13)25(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50531530 (CHEMBL4590200) Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc(no1)C1CC1 Show InChI InChI=1S/C9H9N3O3S2/c10-17(13,14)7-3-6(4-16-7)9-11-8(12-15-9)5-1-2-5/h3-5H,1-2H2,(H2,10,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50523338 (CHEMBL4563416) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(NCc2ccccc2)c(Cl)c1=O Show InChI InChI=1S/C17H15ClN4O3S/c18-16-15(20-10-12-4-2-1-3-5-12)11-21-22(17(16)23)13-6-8-14(9-7-13)26(19,24)25/h1-9,11,20H,10H2,(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50531505 (CHEMBL4560251) Show SMILES COc1ccccc1-c1noc(n1)-c1csc(c1)S(N)(=O)=O Show InChI InChI=1S/C13H11N3O4S2/c1-19-10-5-3-2-4-9(10)12-15-13(20-16-12)8-6-11(21-7-8)22(14,17)18/h2-7H,1H3,(H2,14,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504750 (CHEMBL4536202) Show SMILES COC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3cc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H18N6O7S2/c1-40-26(35)24-30-32(17-8-10-19(11-9-17)42(28,38)39)27-29-21-14-16(22-3-2-12-41-22)13-20(23(21)25(34)31(24)27)15-4-6-18(7-5-15)33(36)37/h2-14H,1H3,(H2,28,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843 BindingDB Entry DOI: 10.7270/Q2WW7N05
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50292219 ((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...) Show SMILES CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 |r| Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Displacement of [3H]-CGP12177 from human beta2 ADR expressed in HEK293T cell membrane after 90 mins by scintillation counting				J Med Chem 61: 5380-5394 (2018) Article DOI: 10.1021/acs.jmedchem.8b00625 BindingDB Entry DOI: 10.7270/Q2XS5XX3
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50515869 (CHEMBL4577408) Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCCO)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClN3O5S/c21-14-4-2-13(3-5-14)19-17(20(27)23-10-1-11-25)12-18(26)24(19)15-6-8-16(9-7-15)30(22,28)29/h2-9,17,19,25H,1,10-12H2,(H,23,27)(H2,22,28,29)/t17-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111642 BindingDB Entry DOI: 10.7270/Q2C250SX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50523351 (CHEMBL4592596) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc2ccccc2c1=O Show InChI InChI=1S/C14H11N3O3S/c15-21(19,20)12-7-5-11(6-8-12)17-14(18)13-4-2-1-3-10(13)9-16-17/h1-9H,(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50531512 (CHEMBL4552118) Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc(no1)-c1ccccc1 Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)10-6-9(7-19-10)12-14-11(15-18-12)8-4-2-1-3-5-8/h1-7H,(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50523342 (CHEMBL4527427) Show SMILES Cc1nn(-c2ccc(cc2)S(N)(=O)=O)c(=O)c2ccccc12 Show InChI InChI=1S/C15H13N3O3S/c1-10-13-4-2-3-5-14(13)15(19)18(17-10)11-6-8-12(9-7-11)22(16,20)21/h2-9H,1H3,(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of membrane bound human CA 9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50523349 (CHEMBL4466844) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CCC1=O)c1ccccc1 |c:12| Show InChI InChI=1S/C16H15N3O3S/c17-23(21,22)14-8-6-13(7-9-14)19-16(20)11-10-15(18-19)12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50555722 (CHEMBL4793920) Show SMILES Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCNCCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.263	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 incubated for 15 mins by stopped- flow CO2 hydrase assay method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112478 BindingDB Entry DOI: 10.7270/Q2571GPQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50523352 (CHEMBL4567068) Show SMILES CCN1CCN(CC1)c1cnn(-c2ccc(cc2)S(N)(=O)=O)c(=O)c1Cl Show InChI InChI=1S/C16H20ClN5O3S/c1-2-20-7-9-21(10-8-20)14-11-19-22(16(23)15(14)17)12-3-5-13(6-4-12)26(18,24)25/h3-6,11H,2,7-10H2,1H3,(H2,18,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50531500 (CHEMBL4559832) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccncc1 Show InChI InChI=1S/C13H10N4O3S/c14-21(18,19)11-3-1-9(2-4-11)12-16-13(20-17-12)10-5-7-15-8-6-10/h1-8H,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50531507 (CHEMBL4464320) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccccn1 Show InChI InChI=1S/C13H10N4O3S/c14-21(18,19)10-6-4-9(5-7-10)12-16-13(20-17-12)11-3-1-2-8-15-11/h1-8H,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50515853 (CHEMBL4573177) Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCC(O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H20ClN3O6S/c21-13-3-1-12(2-4-13)19-16(20(28)23-10-9-18(26)27)11-17(25)24(19)14-5-7-15(8-6-14)31(22,29)30/h1-8,16,19H,9-11H2,(H,23,28)(H,26,27)(H2,22,29,30)/t16-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111642 BindingDB Entry DOI: 10.7270/Q2C250SX
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50523351 (CHEMBL4592596) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc2ccccc2c1=O Show InChI InChI=1S/C14H11N3O3S/c15-21(19,20)12-7-5-11(6-8-12)17-14(18)13-4-2-1-3-10(13)9-16-17/h1-9H,(H2,15,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of membrane bound human CA 9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50405890 (CHEMBL4782535) Show SMILES CC(C)COC(=O)Oc1ccc2cc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C13H15NO5S2/c1-8(2)7-18-13(15)19-10-4-3-9-5-12(21(14,16)17)20-11(9)6-10/h3-6,8H,7H2,1-2H3,(H2,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50527096 (CHEMBL4558452) Show SMILES CC(=O)C(=C/c1ccccc1Cl)\C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15ClN2O4S/c1-11(21)15(10-12-4-2-3-5-16(12)18)17(22)20-13-6-8-14(9-7-13)25(19,23)24/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flo...				J Med Chem 63: 3317-3326 (2020) Article DOI: 10.1021/acs.jmedchem.9b02090 BindingDB Entry DOI: 10.7270/Q25Q50JG
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50531524 (CHEMBL4551727) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1 Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)9-5-3-8(4-6-9)11-14-12(18-15-11)10-2-1-7-19-10/h1-7H,(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50531503 (CHEMBL4440046) Show SMILES NS(=O)(=O)c1cccc(c1)-c1noc(n1)-c1ccsc1 Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)10-3-1-2-8(6-10)11-14-12(18-15-11)9-4-5-19-7-9/h1-7H,(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50531513 (CHEMBL4525976) Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C11H8N4O3S2/c12-20(16,17)9-5-7(6-19-9)11-14-10(15-18-11)8-3-1-2-4-13-8/h1-6H,(H2,12,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50515868 (CHEMBL4521611) Show SMILES CN1CCN(CCCNC(=O)[C@H]2CC(=O)N([C@@H]2c2ccc(Cl)cc2)c2ccc(cc2)S(N)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H32ClN5O4S/c1-29-13-15-30(16-14-29)12-2-11-28-25(33)22-17-23(32)31(24(22)18-3-5-19(26)6-4-18)20-7-9-21(10-8-20)36(27,34)35/h3-10,22,24H,2,11-17H2,1H3,(H,28,33)(H2,27,34,35)/t22-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111642 BindingDB Entry DOI: 10.7270/Q2C250SX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50531524 (CHEMBL4551727) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1 Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)9-5-3-8(4-6-9)11-14-12(18-15-11)10-2-1-7-19-10/h1-7H,(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50251369 (CHEMBL4084006) Show SMILES NS(=O)(=O)c1nnc(\N=C\c2cccc(\C=N\c3nnc(s3)S(N)(=O)=O)c2)s1 Show InChI InChI=1S/C12H10N8O4S4/c13-27(21,22)11-19-17-9(25-11)15-5-7-2-1-3-8(4-7)6-16-10-18-20-12(26-10)28(14,23)24/h1-6H,(H2,13,21,22)(H2,14,23,24)/b15-5+,16-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com. Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 3093-3097 (2017) Article DOI: 10.1016/j.bmc.2017.03.063 BindingDB Entry DOI: 10.7270/Q25T3NXJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515806 (CHEMBL4533252) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(OS(N)(=O)=O)cc1)C(C)=O |t:9| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(14-5-9-16(10-6-14)26-27(19,23)24)11-17(20-21)13-3-7-15(25-2)8-4-13/h3-10,18H,11H2,1-2H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50531528 (CHEMBL4441149) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(no1)-c1ccncc1 Show InChI InChI=1S/C13H10N4O3S/c14-21(18,19)11-3-1-10(2-4-11)13-16-12(17-20-13)9-5-7-15-8-6-9/h1-8H,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515303 (CHEMBL4435346) Show SMILES NS(=O)(=O)c1ccc(OCCCCN(CC#C)CC#C)cc1 Show InChI InChI=1S/C16H20N2O3S/c1-3-11-18(12-4-2)13-5-6-14-21-15-7-9-16(10-8-15)22(17,19)20/h1-2,7-10H,5-6,11-14H2,(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze 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 62: 7233-7249 (2019) Article DOI: 10.1021/acs.jmedchem.9b00845 BindingDB Entry DOI: 10.7270/Q2D79FRD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50531523 (CHEMBL4454736) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C#N Show InChI InChI=1S/C15H10N4O3S/c16-9-10-1-3-12(4-2-10)15-18-14(19-22-15)11-5-7-13(8-6-11)23(17,20)21/h1-8H,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50531500 (CHEMBL4559832) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccncc1 Show InChI InChI=1S/C13H10N4O3S/c14-21(18,19)11-3-1-9(2-4-11)12-16-13(20-17-12)10-5-7-15-8-6-10/h1-8H,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50527087 (CHEMBL4450169) Show SMILES COc1ccc(\C=C(/C(C)=O)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C18H18N2O5S/c1-12(21)17(11-13-3-7-15(25-2)8-4-13)18(22)20-14-5-9-16(10-6-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)/b17-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flo...				J Med Chem 63: 3317-3326 (2020) Article DOI: 10.1021/acs.jmedchem.9b02090 BindingDB Entry DOI: 10.7270/Q25Q50JG
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50523350 (CHEMBL4434778) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccccc1O Show InChI InChI=1S/C16H13N3O4S/c17-24(22,23)12-7-5-11(6-8-12)19-16(21)10-9-14(18-19)13-3-1-2-4-15(13)20/h1-10,20H,(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of membrane bound human CA 9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50564139 (CHEMBL4785560) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(Cn2cc(F)c(=O)[nH]c2=O)nn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112112 BindingDB Entry DOI: 10.7270/Q2J96B4W
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50531504 (CHEMBL4438148) Show SMILES COc1cccc(c1)-c1noc(n1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H13N3O4S/c1-21-12-4-2-3-11(9-12)14-17-15(22-18-14)10-5-7-13(8-6-10)23(16,19)20/h2-9H,1H3,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50531527 (CHEMBL4462653) Show SMILES Cc1nc(no1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C9H9N3O3S/c1-6-11-9(12-15-6)7-2-4-8(5-3-7)16(10,13)14/h2-5H,1H3,(H2,10,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50523332 (CHEMBL4569531) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(N2CCCCCC2)c(Cl)c1=O Show InChI InChI=1S/C16H19ClN4O3S/c17-15-14(20-9-3-1-2-4-10-20)11-19-21(16(15)22)12-5-7-13(8-6-12)25(18,23)24/h5-8,11H,1-4,9-10H2,(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of membrane bound human CA 9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50251369 (CHEMBL4084006) Show SMILES NS(=O)(=O)c1nnc(\N=C\c2cccc(\C=N\c3nnc(s3)S(N)(=O)=O)c2)s1 Show InChI InChI=1S/C12H10N8O4S4/c13-27(21,22)11-19-17-9(25-11)15-5-7-2-1-3-8(4-7)6-16-10-18-20-12(26-10)28(14,23)24/h1-6H,(H2,13,21,22)(H2,14,23,24)/b15-5+,16-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com. Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 3093-3097 (2017) Article DOI: 10.1016/j.bmc.2017.03.063 BindingDB Entry DOI: 10.7270/Q25T3NXJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50211599 (CHEMBL3986308) Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C16H13N5O6S/c17-15-13(14(20-27-15)11-3-1-2-4-12(11)21(23)24)16(22)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,22)(H2,18,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Abant Izzet Baysal University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay				Bioorg Med Chem 25: 1456-1464 (2017) Article DOI: 10.1016/j.bmc.2017.01.008 BindingDB Entry DOI: 10.7270/Q2MS3VXQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50531506 (CHEMBL4454957) Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H13N3O4S/c1-21-13-5-3-2-4-12(13)14-17-15(22-18-14)10-6-8-11(9-7-10)23(16,19)20/h2-9H,1H3,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50515873 (CHEMBL4586855) Show SMILES CN(C)CCCNC(=O)[C@H]1CC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C22H27ClN4O4S/c1-26(2)13-3-12-25-22(29)19-14-20(28)27(21(19)15-4-6-16(23)7-5-15)17-8-10-18(11-9-17)32(24,30)31/h4-11,19,21H,3,12-14H2,1-2H3,(H,25,29)(H2,24,30,31)/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111642 BindingDB Entry DOI: 10.7270/Q2C250SX
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50531527 (CHEMBL4462653) Show SMILES Cc1nc(no1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C9H9N3O3S/c1-6-11-9(12-15-6)7-2-4-8(5-3-7)16(10,13)14/h2-5H,1H3,(H2,10,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay				Eur J Med Chem 164: 92-105 (2019) Article DOI: 10.1016/j.ejmech.2018.12.049 BindingDB Entry DOI: 10.7270/Q2R78JPG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50517102 (CHEMBL4541944) Show SMILES NC1CCN(CC1)C(=O)c1ncc(o1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H18N4O4S/c16-11-5-7-19(8-6-11)15(20)14-18-9-13(23-14)10-1-3-12(4-2-10)24(17,21)22/h1-4,9,11H,5-8,16H2,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins by phenol red staining-based stopped flow CO2 hydrase assay				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115086 BindingDB Entry DOI: 10.7270/Q2WM1HSS
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50523335 (CHEMBL4577540) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(cc1=O)N1CCOCC1 Show InChI InChI=1S/C14H16N4O4S/c15-23(20,21)13-3-1-11(2-4-13)18-14(19)9-12(10-16-18)17-5-7-22-8-6-17/h1-4,9-10H,5-8H2,(H2,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50523344 (CHEMBL4566532) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(cc1=O)N1CCCCCC1 Show InChI InChI=1S/C16H20N4O3S/c17-24(22,23)15-7-5-13(6-8-15)20-16(21)11-14(12-18-20)19-9-3-1-2-4-10-19/h5-8,11-12H,1-4,9-10H2,(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of membrane bound human CA 9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50540581 (CHEMBL4648640) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(Cc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C20H17NO4S/c21-26(24,25)19-10-8-17(9-11-19)16-6-4-14(5-7-16)12-15-2-1-3-18(13-15)20(22)23/h1-11,13H,12H2,(H,22,23)(H2,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.570	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 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 633-637 (2020) Article DOI: 10.1021/acsmedchemlett.9b00437 BindingDB Entry DOI: 10.7270/Q23J3HH4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50523339 (CHEMBL4542010) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(N2CCOCC2)c(Cl)c1=O Show InChI InChI=1S/C14H15ClN4O4S/c15-13-12(18-5-7-23-8-6-18)9-17-19(14(13)20)10-1-3-11(4-2-10)24(16,21)22/h1-4,9H,5-8H2,(H2,16,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of membrane bound human CA 9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
					More data for this Ligand-Target Pair

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