Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50049248   

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 5A, mitochondrial (Homo sapiens (Human))	BDBM50237498 (CHEMBL4063105) Show SMILES CN(C)CCN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C22H26N4O3S2/c1-16-21(31(23,28)29)30-22(24-16)26(14-13-25(2)3)20(27)15-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H2,23,28,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237367 (CHEMBL4090091) Show SMILES CN(C(=O)Cc1ccc(cc1)-n1cccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C16H17N5O3S2/c1-11-15(26(17,23)24)25-16(19-11)20(2)14(22)10-12-4-6-13(7-5-12)21-9-3-8-18-21/h3-9H,10H2,1-2H3,(H2,17,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237373 (CHEMBL4095061) Show SMILES CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C20H20FN3O3S2/c1-13-19(29(26,27)22-2)28-20(23-13)24(3)18(25)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)21/h4-11,22H,12H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	33	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237372 (CHEMBL4089153) Show SMILES COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H20FN3O4S2/c1-12-19(30(22,26)27)29-20(23-12)24(2)17(25)11-13-7-9-14(10-8-13)15-5-4-6-16(21)18(15)28-3/h4-10H,11H2,1-3H3,(H2,22,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	37	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237364 (CHEMBL4073528) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(CO)c(s1)S(N)(=O)=O Show InChI InChI=1S/C18H18N4O4S2/c1-22(18-21-15(11-23)17(27-18)28(19,25)26)16(24)10-12-5-7-13(8-6-12)14-4-2-3-9-20-14/h2-9,23H,10-11H2,1H3,(H2,19,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	51	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237370 (CHEMBL4071722) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1F)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)20/h3-10H,11H2,1-2H3,(H2,21,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	54	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237495 (CHEMBL4092504) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cccc(F)c1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)10-13-6-8-14(9-7-13)15-4-3-5-16(20)11-15/h3-9,11H,10H2,1-2H3,(H2,21,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	59	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237363 (CHEMBL4100366) Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C19H20N4O3S2/c1-3-15-18(28(20,25)26)27-19(22-15)23(2)17(24)12-13-7-9-14(10-8-13)16-6-4-5-11-21-16/h4-11H,3,12H2,1-2H3,(H2,20,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61	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 Compound was tested for inhibition of [3H]DA binding to dopamine (DAT) transporter in HEK cells				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237369 (CHEMBL4084758) Show SMILES Cc1nc(sc1S(N)(=O)=O)N(C1CC1)C(=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3S2/c1-14-20(29(22,26)27)28-21(23-14)24(18-11-12-18)19(25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3,(H2,22,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237368 (CHEMBL4062048) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cnccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C17H17N5O3S2/c1-11-16(27(18,24)25)26-17(21-11)22(2)15(23)9-12-3-5-13(6-4-12)14-10-19-7-8-20-14/h3-8,10H,9H2,1-2H3,(H2,18,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	62	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	63	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237360 (CHEMBL4084865) Show SMILES Cl.CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C19H20N4O3S2/c1-13-18(28(25,26)20-2)27-19(22-13)23(3)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16/h4-11,20H,12H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237361 (CHEMBL4102820) Show SMILES CNS(=O)(=O)c1sc(nc1C)N(CCN(C)C)C(=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H28N4O3S2/c1-17-22(32(29,30)24-2)31-23(25-17)27(15-14-26(3)4)21(28)16-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,24H,14-16H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	73	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237497 (CHEMBL4074597) Show SMILES CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H21N3O3S2/c1-14-19(28(25,26)21-2)27-20(22-14)23(3)18(24)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,21H,13H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	75	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237494 (CHEMBL4092630) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(=O)(=O)NC1CC1 Show InChI InChI=1S/C22H23N3O3S2/c1-15-21(30(27,28)24-19-12-13-19)29-22(23-15)25(2)20(26)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,19,24H,12-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	88	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237362 (CHEMBL4064934) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(=O)(=O)NCCO Show InChI InChI=1S/C21H23N3O4S2/c1-15-20(30(27,28)22-12-13-25)29-21(23-15)24(2)19(26)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,22,25H,12-14H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237496 (CHEMBL4100256) Show SMILES CC([O-])=O.CN(C(=O)Cc1ccc(cc1)-c1cccc[n+]1C)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H21N4O3S2/c1-13-18(28(20,25)26)27-19(21-13)23(3)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-22(16)2/h4-11H,12H2,1-3H3,(H2,20,25,26)/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	354	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237366 (CHEMBL4069597) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	474	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 Compound was tested for inhibition of [3H]5-HT binding to Serotonin transporter in HEK cells				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50237371 (CHEMBL4067954 | US11278534, reference example 87 (...) Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cc(F)ccc1F)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H17F2N3O3S2/c1-11-18(29(22,26)27)28-19(23-11)24(2)17(25)9-12-3-5-13(6-4-12)15-10-14(20)7-8-16(15)21/h3-8,10H,9H2,1-2H3,(H2,22,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	560	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 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 1...				J Med Chem 60: 3154-3164 (2017) Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC
					More data for this Ligand-Target Pair