Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50000305   

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))	BDBM50245818 (CHEMBL4077440) Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2c(Br)cccc2c1=O Show InChI InChI=1S/C14H10BrN3O3S2/c15-11-6-2-5-10-12(11)17-14(22)18(13(10)19)8-3-1-4-9(7-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50245748 (CHEMBL4079984) Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2cc(Cl)ccc2c1=O Show InChI InChI=1S/C14H10ClN3O3S2/c15-8-4-5-11-12(6-8)17-14(22)18(13(11)19)9-2-1-3-10(7-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.980	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50245751 (CHEMBL4075893) Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2cc(Br)ccc2c1=O Show InChI InChI=1S/C14H10BrN3O3S2/c15-8-4-5-11-12(6-8)17-14(22)18(13(11)19)9-2-1-3-10(7-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50245758 (CHEMBL4075913) Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2cc(F)ccc2c1=O Show InChI InChI=1S/C14H10FN3O3S2/c15-8-4-5-11-12(6-8)17-14(22)18(13(11)19)9-2-1-3-10(7-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50245757 (CHEMBL4076110) Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2ccc(F)cc2c1=O Show InChI InChI=1S/C14H10FN3O3S2/c15-8-4-5-12-11(6-8)13(19)18(14(22)17-12)9-2-1-3-10(7-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50245750 (CHEMBL4103504) Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2c(Cl)cccc2c1=O Show InChI InChI=1S/C14H10ClN3O3S2/c15-11-6-2-5-10-12(11)17-14(22)18(13(10)19)8-3-1-4-9(7-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50245747 (CHEMBL4068913) Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2ccccc2c1=O Show InChI InChI=1S/C14H11N3O3S2/c15-22(19,20)10-5-3-4-9(8-10)17-13(18)11-6-1-2-7-12(11)16-14(17)21/h1-8H,(H,16,21)(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50245806 (CHEMBL4062609) Show SMILES Cc1ccc2nc(S)n(-c3cccc(c3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C15H13N3O3S2/c1-9-5-6-13-12(7-9)14(19)18(15(22)17-13)10-3-2-4-11(8-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	19	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50245749 (CHEMBL4091026) Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2ccc(Cl)cc2c1=O Show InChI InChI=1S/C14H10ClN3O3S2/c15-8-4-5-12-11(6-8)13(19)18(14(22)17-12)9-2-1-3-10(7-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50245752 (CHEMBL4098958) Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2ccc(I)cc2c1=O Show InChI InChI=1S/C14H10IN3O3S2/c15-8-4-5-12-11(6-8)13(19)18(14(22)17-12)9-2-1-3-10(7-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50245759 (CHEMBL4085469) Show SMILES Cc1cccc2c1nc(S)n(-c1cccc(c1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C15H13N3O3S2/c1-9-4-2-7-12-13(9)17-15(22)18(14(12)19)10-5-3-6-11(8-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	65	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50245804 (CHEMBL4098104) Show SMILES COc1cccc2c1nc(S)n(-c1cccc(c1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C15H13N3O4S2/c1-22-12-7-3-6-11-13(12)17-15(23)18(14(11)19)9-4-2-5-10(8-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50245803 (CHEMBL4082241) Show SMILES COc1ccc2c(c1)nc(S)n(-c1cccc(c1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C15H13N3O4S2/c1-22-10-5-6-12-13(8-10)17-15(23)18(14(12)19)9-3-2-4-11(7-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	104	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50245805 (CHEMBL4071020) Show SMILES COc1cc2nc(S)n(-c3cccc(c3)S(N)(=O)=O)c(=O)c2cc1OC Show InChI InChI=1S/C16H15N3O5S2/c1-23-13-7-11-12(8-14(13)24-2)18-16(25)19(15(11)20)9-4-3-5-10(6-9)26(17,21)22/h3-8H,1-2H3,(H,18,25)(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50245802 (CHEMBL4099863) Show SMILES Cc1cc2nc(S)n(-c3cccc(c3)S(N)(=O)=O)c(=O)c2cc1C Show InChI InChI=1S/C16H15N3O3S2/c1-9-6-13-14(7-10(9)2)18-16(23)19(15(13)20)11-4-3-5-12(8-11)24(17,21)22/h3-8H,1-2H3,(H,18,23)(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	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 by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2782-2788 (2017) Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2
					More data for this Ligand-Target Pair