Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50039271   

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))	BDBM50325274 (4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...) Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	730	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 human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM23416 (α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...) Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.21E+3	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 human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	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	4.75E+3	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 human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50067040 (((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...) Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.03E+4	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 human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM26187 (α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...) Show SMILES Oc1ccccc1 Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.18E+5	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 human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50146462 ((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccccc1O Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+6	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 human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem Lett 20: 5050-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.038 BindingDB Entry DOI: 10.7270/Q2HM59FX
					More data for this Ligand-Target Pair