Compile Data Set for Download or QSAR

Found 111 hits Enz. Inhib. hit(s) with all data for entry = 50008890   

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))	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 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))	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 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))	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 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 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 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))	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 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 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
Carbonic anhydrase 2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.620	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))	BDBM50523346 (CHEMBL4471028) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(NCCCN2CCOCC2)c(Cl)c1=O Show InChI InChI=1S/C17H22ClN5O4S/c18-16-15(20-6-1-7-22-8-10-27-11-9-22)12-21-23(17(16)24)13-2-4-14(5-3-13)28(19,25)26/h2-5,12,20H,1,6-11H2,(H2,19,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.670	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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.670	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))	BDBM50523331 (CHEMBL4445523) Show SMILES CC1=NN(C(=O)CC1)c1ccc(cc1)S(N)(=O)=O |t:1| Show InChI InChI=1S/C11H13N3O3S/c1-8-2-7-11(15)14(13-8)9-3-5-10(6-4-9)18(12,16)17/h3-6H,2,7H2,1H3,(H2,12,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.680	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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	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))	BDBM50523337 (CHEMBL4452286) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2OCOc2c1 Show InChI InChI=1S/C17H13N3O5S/c18-26(22,23)13-4-2-12(3-5-13)20-17(21)8-6-14(19-20)11-1-7-15-16(9-11)25-10-24-15/h1-9H,10H2,(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	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))	BDBM50523333 (CHEMBL4450986) Show SMILES Cc1cc(nn(-c2ccc(cc2)S(N)(=O)=O)c1=O)-c1cccnc1 Show InChI InChI=1S/C16H14N4O3S/c1-11-9-15(12-3-2-8-18-10-12)19-20(16(11)21)13-4-6-14(7-5-13)24(17,22)23/h2-10H,1H3,(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	2.30	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))	BDBM50523336 (CHEMBL4442554) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(Cl)c(Cl)c1=O Show InChI InChI=1S/C10H7Cl2N3O3S/c11-8-5-14-15(10(16)9(8)12)6-1-3-7(4-2-6)19(13,17)18/h1-5H,(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.30	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))	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 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
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))	BDBM50523346 (CHEMBL4471028) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(NCCCN2CCOCC2)c(Cl)c1=O Show InChI InChI=1S/C17H22ClN5O4S/c18-16-15(20-6-1-7-22-8-10-27-11-9-22)12-21-23(17(16)24)13-2-4-14(5-3-13)28(19,25)26/h2-5,12,20H,1,6-11H2,(H2,19,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	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))	BDBM50523333 (CHEMBL4450986) Show SMILES Cc1cc(nn(-c2ccc(cc2)S(N)(=O)=O)c1=O)-c1cccnc1 Show InChI InChI=1S/C16H14N4O3S/c1-11-9-15(12-3-2-8-18-10-12)19-20(16(11)21)13-4-6-14(7-5-13)24(17,22)23/h2-10H,1H3,(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	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))	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3	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 CA 12 catalytic domain				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))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3	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 CA 12 catalytic domain				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))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	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 full length human CA 2				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				3D Structure (docked)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50013792 (CHEBI:6822 | METHAZOLAMIDE | Neptazane) Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	3.40	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 CA 12 catalytic domain				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))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.5	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 CA 12 catalytic domain				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))	BDBM50523343 (CHEMBL4538086) Show SMILES COc1ccc2cnn(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1OC Show InChI InChI=1S/C16H15N3O5S/c1-23-13-8-3-10-9-18-19(16(20)14(10)15(13)24-2)11-4-6-12(7-5-11)25(17,21)22/h3-9H,1-2H3,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	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))	BDBM50523334 (CHEMBL4436840) Show SMILES CCN1CCN(CC1)c1cnn(-c2ccc(cc2)S(N)(=O)=O)c(=O)c1 Show InChI InChI=1S/C16H21N5O3S/c1-2-19-7-9-20(10-8-19)14-11-16(22)21(18-12-14)13-3-5-15(6-4-13)25(17,23)24/h3-6,11-12H,2,7-10H2,1H3,(H2,17,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	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))	BDBM50523353 (CHEMBL4558155) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccncc1 Show InChI InChI=1S/C15H12N4O3S/c16-23(21,22)13-3-1-12(2-4-13)19-15(20)6-5-14(18-19)11-7-9-17-10-8-11/h1-10H,(H2,16,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80	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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.80	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 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
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human CA 12 catalytic domain				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				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50523347 (CHEMBL4470416) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CCC1=O)c1ccc(Cl)c(Cl)c1 |c:12| Show InChI InChI=1S/C16H13Cl2N3O3S/c17-13-6-1-10(9-14(13)18)15-7-8-16(22)21(20-15)11-2-4-12(5-3-11)25(19,23)24/h1-6,9H,7-8H2,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	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 12 (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	6.30	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 12 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))	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	7.20	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 12 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))	BDBM50523341 (CHEMBL4566204) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncccc1=O Show InChI InChI=1S/C10H9N3O3S/c11-17(15,16)9-5-3-8(4-6-9)13-10(14)2-1-7-12-13/h1-7H,(H2,11,15,16)	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
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))	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	8.40	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 12 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))	BDBM50523336 (CHEMBL4442554) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(Cl)c(Cl)c1=O Show InChI InChI=1S/C10H7Cl2N3O3S/c11-8-5-14-15(10(16)9(8)12)6-1-3-7(4-2-6)19(13,17)18/h1-5H,(H2,13,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	8.70	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 12 (Homo sapiens (Human))	BDBM50523353 (CHEMBL4558155) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccncc1 Show InChI InChI=1S/C15H12N4O3S/c16-23(21,22)13-3-1-12(2-4-13)19-15(20)6-5-14(18-19)11-7-9-17-10-8-11/h1-10H,(H2,16,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.70	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 12 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))	BDBM50523333 (CHEMBL4450986) Show SMILES Cc1cc(nn(-c2ccc(cc2)S(N)(=O)=O)c1=O)-c1cccnc1 Show InChI InChI=1S/C16H14N4O3S/c1-11-9-15(12-3-2-8-18-10-12)19-20(16(11)21)13-4-6-14(7-5-13)24(17,22)23/h2-10H,1H3,(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80	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 12 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))	BDBM50523343 (CHEMBL4538086) Show SMILES COc1ccc2cnn(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1OC Show InChI InChI=1S/C16H15N3O5S/c1-23-13-8-3-10-9-18-19(16(20)14(10)15(13)24-2)11-4-6-12(7-5-11)25(17,21)22/h3-9H,1-2H3,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.90	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 12 (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	9	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 12 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))	BDBM50523341 (CHEMBL4566204) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncccc1=O Show InChI InChI=1S/C10H9N3O3S/c11-17(15,16)9-5-3-8(4-6-9)13-10(14)2-1-7-12-13/h1-7H,(H2,11,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	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))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	9	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 full length human CA 2				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				3D Structure (crystal)

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