Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50003294   

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 9 (Homo sapiens (Human))	BDBM50469139 (CHEMBL4292479) Show SMILES [#6]-[#8]-c1ccc([Se;v2][#6]-c2cnc([se;v2]2)-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C17H16N2O3SSe2/c1-22-13-4-8-15(9-5-13)24-11-16-10-19-17(25-16)12-2-6-14(7-3-12)23(18,20)21/h2-10H,11H2,1H3,(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469130 (CHEMBL4278541) Show SMILES [#7]S(=O)(=O)c1ccc(cc1)-c1ncc([se;v2]1)-c1ccc(Br)cc1 Show InChI InChI=1S/C15H11BrN2O2SSe/c16-12-5-1-10(2-6-12)14-9-18-15(22-14)11-3-7-13(8-4-11)21(17,19)20/h1-9H,(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469136 (CHEMBL4290136) Show SMILES [#6]-[#8]-c1ccc([Te;v2][#6]-c2cnc([se;v2]2)-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C17H16N2O3SSeTe/c1-22-13-4-8-16(9-5-13)25-11-15-10-19-17(24-15)12-2-6-14(7-3-12)23(18,20)21/h2-10H,11H2,1H3,(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469131 (CHEMBL4285683) Show SMILES [#6]-c1ccc([Te;v2][#6]-c2cnc([se;v2]2)-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C17H16N2O2SSeTe/c1-12-2-8-16(9-3-12)24-11-15-10-19-17(23-15)13-4-6-14(7-5-13)22(18,20)21/h2-10H,11H2,1H3,(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469133 (CHEMBL4283364) Show SMILES [#7]S(=O)(=O)c1ccc(cc1)-c1ncc(-[#6]Cl)[se;v2]1 Show InChI InChI=1S/C10H9ClN2O2SSe/c11-5-9-6-13-10(17-9)7-1-3-8(4-2-7)16(12,14)15/h1-4,6H,5H2,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469145 (CHEMBL4293952) Show SMILES [#7]S(=O)(=O)c1ccc(cc1)-c1ncc(-[#6]-[#16]-c2ccccc2)[se;v2]1 Show InChI InChI=1S/C16H14N2O2S2Se/c17-22(19,20)14-8-6-12(7-9-14)16-18-10-15(23-16)11-21-13-4-2-1-3-5-13/h1-10H,11H2,(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469143 (CHEMBL4293677) Show SMILES [#7]S(=O)(=O)c1ccc(cc1)-c1ncc([se;v2]1)-c1ccccc1 Show InChI InChI=1S/C15H12N2O2SSe/c16-20(18,19)13-8-6-12(7-9-13)15-17-10-14(21-15)11-4-2-1-3-5-11/h1-10H,(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469140 (CHEMBL4286710) Show SMILES [#6]-c1cnc([se;v2]1)-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C10H10N2O2SSe/c1-7-6-12-10(16-7)8-2-4-9(5-3-8)15(11,13)14/h2-6H,1H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469138 (CHEMBL4279797) Show SMILES Cl.[#7]-[#6](=[#7])-[#16]-[#6]-c1cnc([se;v2]1)-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C11H12N4O2S2Se/c12-11(13)18-6-9-5-15-10(20-9)7-1-3-8(4-2-7)19(14,16)17/h1-5H,6H2,(H3,12,13)(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469137 (CHEMBL4281852) Show SMILES [#6]-c1ccc([Se;v2][#6]-c2cnc([se;v2]2)-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C17H16N2O2SSe2/c1-12-2-8-15(9-3-12)23-11-16-10-19-17(24-16)13-4-6-14(7-5-13)22(18,20)21/h2-10H,11H2,1H3,(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469134 (CHEMBL4293524) Show SMILES [#7]S(=O)(=O)c1ccc(cc1)-c1ncc(-[#6][Te;v2]c2ccccc2)[se;v2]1 Show InChI InChI=1S/C16H14N2O2SSeTe/c17-21(19,20)13-8-6-12(7-9-13)16-18-10-14(22-16)11-23-15-4-2-1-3-5-15/h1-10H,11H2,(H2,17,19,20)	PDB MMDB NCI pathway 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
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469135 (CHEMBL4283086) Show SMILES [#7]S(=O)(=O)c1ccc(cc1)-c1ncc([se;v2]1)-c1ccc(F)cc1 Show InChI InChI=1S/C15H11FN2O2SSe/c16-12-5-1-10(2-6-12)14-9-18-15(22-14)11-3-7-13(8-4-11)21(17,19)20/h1-9H,(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469144 (CHEMBL4293266) Show SMILES [#7]-[#6](=[Se;v2])-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C7H8N2O2SSe/c8-7(13)5-1-3-6(4-2-5)12(9,10)11/h1-4H,(H2,8,13)(H2,9,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469146 (CHEMBL4277055) Show SMILES [#7]S(=O)(=O)c1ccc(cc1)-c1ncc([se;v2]1)-c1ccc(cc1)-[#7+](-[#8-])=O Show InChI InChI=1S/C15H11N3O4SSe/c16-23(21,22)13-7-3-11(4-8-13)15-17-9-14(24-15)10-1-5-12(6-2-10)18(19)20/h1-9H,(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	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469142 (CHEMBL4286460) Show SMILES [#7]S(=O)(=O)c1ccc(cc1)-c1ncc([se;v2]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H11ClN2O2SSe/c16-12-5-1-10(2-6-12)14-9-18-15(22-14)11-3-7-13(8-4-11)21(17,19)20/h1-9H,(H2,17,19,20)	PDB MMDB NCI pathway 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
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469132 (CHEMBL4278797) Show SMILES [#7]S(=O)(=O)c1ccc(cc1)-c1ncc([se;v2]1)-[#6](-[#8])=O Show InChI InChI=1S/C10H8N2O4SSe/c11-17(15,16)7-3-1-6(2-4-7)9-12-5-8(18-9)10(13)14/h1-5H,(H,13,14)(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
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469129 (CHEMBL4282275) Show SMILES [#7]S(=O)(=O)c1ccc(cc1)-c1ncc(-[#6][Se;v2]c2ccccc2)[se;v2]1 Show InChI InChI=1S/C16H14N2O2SSe2/c17-21(19,20)13-8-6-12(7-9-13)16-18-10-15(23-16)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50469141 (CHEMBL4285006) Show SMILES [#6]-[#8]-c1cccc(c1)-c1cnc([se;v2]1)-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C16H14N2O3SSe/c1-21-13-4-2-3-12(9-13)15-10-18-16(23-15)11-5-7-14(8-6-11)22(17,19)20/h2-10H,1H3,(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
					More data for this Ligand-Target Pair