Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'watt' and Initial = 'w'   

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 (Candida glabrata)	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)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents 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 Candida glabrata carbonic anhydrase by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 4802-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.048 BindingDB Entry DOI: 10.7270/Q2R212BT
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50428619 (CHEMBL2331755) Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1 Show InChI InChI=1S/C16H20N4O3S/c1-11(2)14-5-3-4-6-15(14)19-16(21)18-12-7-9-13(10-8-12)20-24(17,22)23/h3-11,20H,1-2H3,(H2,17,22,23)(H2,18,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	55	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50428618 (CHEMBL2331756) Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 Show InChI InChI=1S/C12H14N4O4S/c13-21(18,19)16-10-5-3-9(4-6-10)15-12(17)14-8-11-2-1-7-20-11/h1-7,16H,8H2,(H2,13,18,19)(H2,14,15,17)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	58	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50428621 (CHEMBL2331768) Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1 Show InChI InChI=1S/C19H18N4O3S/c20-27(25,26)23-16-12-10-15(11-13-16)21-19(24)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,23H,(H2,20,25,26)(H2,21,22,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	72	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50433076 (CHEMBL2376275) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc-3c(Cc4ccccc-34)c2)cc1 Show InChI InChI=1S/C20H17N3O4S/c21-28(25,26)27-17-8-5-15(6-9-17)22-20(24)23-16-7-10-19-14(12-16)11-13-3-1-2-4-18(13)19/h1-10,12H,11H2,(H2,21,25,26)(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	76	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50433075 (CHEMBL2376276) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(c(c2C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 Show InChI InChI=1S/C16H10F9N3O4S/c17-14(18,19)9-5-6-10(12(16(23,24)25)11(9)15(20,21)22)28-13(29)27-7-1-3-8(4-2-7)32-33(26,30)31/h1-6H,(H2,26,30,31)(H2,27,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	76	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50387134 (4-ureidophenyl sulfamate ring derivative 3s | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(F)cc(F)cc2Br)cc1 Show InChI InChI=1S/C13H10BrF2N3O4S/c14-10-5-7(15)6-11(16)12(10)19-13(20)18-8-1-3-9(4-2-8)23-24(17,21)22/h1-6H,(H2,17,21,22)(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50428625 (CHEMBL2331764) Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C13H13ClN4O3S/c14-9-1-3-10(4-2-9)16-13(19)17-11-5-7-12(8-6-11)18-22(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	102	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50387128 (4-ureidophenyl sulfamate ring derivative 3m | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H12N4O6S/c14-24(21,22)23-12-7-3-10(4-8-12)16-13(18)15-9-1-5-11(6-2-9)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	106	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50428626 (CHEMBL2331763) Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H13N5O5S/c14-24(22,23)17-10-6-4-9(5-7-10)15-13(19)16-11-2-1-3-12(8-11)18(20)21/h1-8,17H,(H2,14,22,23)(H2,15,16,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	109	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50433074 (CHEMBL2376273) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C15H17N3O3S/c16-22(20,21)14-8-6-13(7-9-14)18-15(19)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50387138 (CHEMBL2047818) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C13H12ClN3O4S/c14-9-2-1-3-11(8-9)17-13(18)16-10-4-6-12(7-5-10)21-22(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50428624 (CHEMBL2331765) Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C15H18N4O3S/c16-23(21,22)19-14-8-6-13(7-9-14)18-15(20)17-11-10-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,16,21,22)(H2,17,18,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	130	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50387127 (4-ureidophenyl sulfamate ring derivative 3l | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C15H17N3O4S/c16-23(20,21)22-14-8-6-13(7-9-14)18-15(19)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,16,20,21)(H2,17,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	133	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50428615 (CHEMBL2331759) Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)NC2CCCCC2)cc1 Show InChI InChI=1S/C13H20N4O3S/c14-21(19,20)17-12-8-6-11(7-9-12)16-13(18)15-10-4-2-1-3-5-10/h6-10,17H,1-5H2,(H2,14,19,20)(H2,15,16,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	134	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50428627 (CHEMBL2331762) Show SMILES CCCCOc1ccc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)cc1 Show InChI InChI=1S/C17H22N4O4S/c1-2-3-12-25-16-10-8-14(9-11-16)20-17(22)19-13-4-6-15(7-5-13)21-26(18,23)24/h4-11,21H,2-3,12H2,1H3,(H2,18,23,24)(H2,19,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	135	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50433073 (CHEMBL2376274) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C14H15N3O4S/c15-22(19,20)21-13-8-6-12(7-9-13)17-14(18)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,19,20)(H2,16,17,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	137	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50428623 (CHEMBL2331766) Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(NS(N)(=O)=O)cc2)c1 Show InChI InChI=1S/C15H18N4O3S/c1-10-7-11(2)9-14(8-10)18-15(20)17-12-3-5-13(6-4-12)19-23(16,21)22/h3-9,19H,1-2H3,(H2,16,21,22)(H2,17,18,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	139	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50387114 (CHEMBL2047796) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C13H13N3O4S/c14-21(18,19)20-12-8-6-11(7-9-12)16-13(17)15-10-4-2-1-3-5-10/h1-9H,(H2,14,18,19)(H2,15,16,17)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50428628 (CHEMBL2331761) Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C14H16N4O3S/c15-22(20,21)18-13-8-6-12(7-9-13)17-14(19)16-10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H2,15,20,21)(H2,16,17,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	146	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50387158 (CHEMBL2047839) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2C#N)cc1 Show InChI InChI=1S/C14H12N4O4S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22-23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	156	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50387116 (4-ureidophenyl sulfamate ring derivative 3x | CHEM...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C13H12ClN3O4S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21-22(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	505	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 full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50387133 (CHEMBL2047813) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1 Show InChI InChI=1S/C17H15N3O4S/c18-25(22,23)24-14-10-8-13(9-11-14)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,22,23)(H2,19,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.43E+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 recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...				Bioorg Med Chem Lett 23: 2647-52 (2013) Article DOI: 10.1016/j.bmcl.2013.02.092 BindingDB Entry DOI: 10.7270/Q28S4R9P
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM26997 (CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...) Show SMILES O[As](O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.80E+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 Candida glabrata carbonic anhydrase by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 4802-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.048 BindingDB Entry DOI: 10.7270/Q2R212BT
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM26996 (CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...) Show SMILES OB(O)c1ccccc1 Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+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 Candida glabrata carbonic anhydrase by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 4802-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.048 BindingDB Entry DOI: 10.7270/Q2R212BT
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM50297924 (CHEMBL232233 | H2NSO3H | sodium sulfamate) Show SMILES NS([O-])(=O)=O Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)/p-1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.10E+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 Candida glabrata carbonic anhydrase by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 4802-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.048 BindingDB Entry DOI: 10.7270/Q2R212BT
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida glabrata)	BDBM26995 (CHEMBL355001 | H2NSO2NH2 | sulfamamide | sulfamide...) Show SMILES NS(N)(=O)=O Show InChI InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.20E+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 Candida glabrata carbonic anhydrase by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 4802-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.048 BindingDB Entry DOI: 10.7270/Q2R212BT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50024146 (CHEMBL3142169 | {1-[1-[1-(2,2-Difluoro-2-{2-methyl...) Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |c:24,26| Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)46-23-27-16-12-13-17-43-27)50-37(55)40(41,42)33(51)28(20-24(2)3)47-35(53)30(22-31-44-18-19-45-31)48-34(52)29(21-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-19,24-25,28-32H,8,20-23H2,1-7H3,(H,46,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human plasma renin				J Med Chem 29: 2080-7 (1986) BindingDB Entry DOI: 10.7270/Q25X29G7
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50024149 (CHEMBL3142178 | {1-[1-(1-Cyclohexylmethyl-3,3-difl...) Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |c:28,30| Show InChI InChI=1S/C43H60F2N8O7/c1-6-27(2)35(39(57)49-26-30-19-13-14-20-46-30)53-40(58)43(44,45)36(54)31(23-28-15-9-7-10-16-28)50-38(56)33(25-34-47-21-22-48-34)51-37(55)32(24-29-17-11-8-12-18-29)52-41(59)60-42(3,4)5/h8,11-14,17-22,27-28,31-36,54H,6-7,9-10,15-16,23-26H2,1-5H3,(H,49,57)(H,50,56)(H,51,55)(H,52,59)(H,53,58)/t27?,31-,32?,33?,35?,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human plasma renin				J Med Chem 29: 2080-7 (1986) BindingDB Entry DOI: 10.7270/Q25X29G7
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50024144 (CHEMBL3142193 | {1-[1-(1-Benzyl-3,3-difluoro-3-{2-...) Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |r,c:28,30| Show InChI InChI=1S/C43H52F2N8O7/c1-6-27(2)35(39(57)49-26-30-19-13-14-20-46-30)53-40(58)43(44,45)36(54)31(23-28-15-9-7-10-16-28)50-38(56)33(25-34-47-21-22-48-34)51-37(55)32(24-29-17-11-8-12-18-29)52-41(59)60-42(3,4)5/h7-22,27,31-35H,6,23-26H2,1-5H3,(H,49,57)(H,50,56)(H,51,55)(H,52,59)(H,53,58)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human plasma renin				J Med Chem 29: 2080-7 (1986) BindingDB Entry DOI: 10.7270/Q25X29G7
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50024145 (CHEMBL3350345 | {1-[1-(1-Cyclohexylmethyl-3,3-difl...) Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |c:24,26| Show InChI InChI=1S/C43H58F2N8O7/c1-6-27(2)35(39(57)49-26-30-19-13-14-20-46-30)53-40(58)43(44,45)36(54)31(23-28-15-9-7-10-16-28)50-38(56)33(25-34-47-21-22-48-34)51-37(55)32(24-29-17-11-8-12-18-29)52-41(59)60-42(3,4)5/h8,11-14,17-22,27-28,31-35H,6-7,9-10,15-16,23-26H2,1-5H3,(H,49,57)(H,50,56)(H,51,55)(H,52,59)(H,53,58)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human plasma renin				J Med Chem 29: 2080-7 (1986) BindingDB Entry DOI: 10.7270/Q25X29G7
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021127 (2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...) Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme				J Med Chem 28: 1511-6 (1985) BindingDB Entry DOI: 10.7270/Q2BR8SRQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50021153 (1H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbo...) Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O Show InChI InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 1603-6 (1985) BindingDB Entry DOI: 10.7270/Q2ZK5H7D
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021127 (2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...) Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme				J Med Chem 28: 1511-6 (1985) BindingDB Entry DOI: 10.7270/Q2BR8SRQ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50024147 (CHEMBL3142170 | {1-[1-[1-(1-Hydroxy-2-{2-methyl-1-...) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |c:22,24| Show InChI InChI=1S/C40H58N8O7/c1-8-26(4)35(38(53)44-24-28-16-12-13-17-41-28)48-34(50)23-32(49)29(20-25(2)3)45-37(52)31(22-33-42-18-19-43-33)46-36(51)30(21-27-14-10-9-11-15-27)47-39(54)55-40(5,6)7/h9-19,25-26,29-33,35,49H,8,20-24H2,1-7H3,(H,44,53)(H,45,52)(H,46,51)(H,47,54)(H,48,50)/t26?,29-,30?,31?,32-,35?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human plasma renin				J Med Chem 29: 2080-7 (1986) BindingDB Entry DOI: 10.7270/Q25X29G7
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50027226 (3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1ccsc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-16-13(6-9-19-16)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site A using [3H]clonidine				J Med Chem 26: 1116-22 (1983) BindingDB Entry DOI: 10.7270/Q2SN07ZR
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50024143 (CHEMBL3142184 | {1-[1-[1-(2,2-Difluoro-2-{2-methyl...) Show SMILES CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 |r,c:28,30| Show InChI InChI=1S/C40H54F2N8O7/c1-8-25(4)32(36(54)46-23-27-16-12-13-17-43-27)50-37(55)40(41,42)33(51)28(20-24(2)3)47-35(53)30(22-31-44-18-19-45-31)48-34(52)29(21-26-14-10-9-11-15-26)49-38(56)57-39(5,6)7/h9-19,24-25,28-32H,8,20-23H2,1-7H3,(H,46,54)(H,47,53)(H,48,52)(H,49,56)(H,50,55)/t25?,28-,29?,30?,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human plasma renin				J Med Chem 29: 2080-7 (1986) BindingDB Entry DOI: 10.7270/Q25X29G7
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021790 ((S,S)1-(3-Mercapto-2-methyl-propionyl)-2,3-dihydro...) Show SMILES CC(CS)C(=O)N1C(Cc2ccccc12)C(O)=O Show InChI InChI=1S/C13H15NO3S/c1-8(7-18)12(15)14-10-5-3-2-4-9(10)6-11(14)13(16)17/h2-5,8,11,18H,6-7H2,1H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit Angiotensin I converting enzyme was determined				J Med Chem 27: 816-8 (1984) BindingDB Entry DOI: 10.7270/Q20K2956
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021127 (2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...) Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme				J Med Chem 28: 1511-6 (1985) BindingDB Entry DOI: 10.7270/Q2BR8SRQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50021148 (3-Benzylsulfanyl-2-(1-carboxymethyl-2-oxo-2,3,4,5-...) Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CSCc2ccccc2)C(O)=O)C1=O Show InChI InChI=1S/C22H24N2O5S/c25-20(26)12-24-19-9-5-4-8-16(19)10-11-17(21(24)27)23-18(22(28)29)14-30-13-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 1603-6 (1985) BindingDB Entry DOI: 10.7270/Q2ZK5H7D
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50027226 (3-Methyl-1,2,3,4,4a,8-hexahydro-7-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1ccsc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-16-13(6-9-19-16)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site B using [3H]-clonidine				J Med Chem 26: 1116-22 (1983) BindingDB Entry DOI: 10.7270/Q2SN07ZR
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50027227 (3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site B using [3H]-clonidine				J Med Chem 26: 1116-22 (1983) BindingDB Entry DOI: 10.7270/Q2SN07ZR
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-2A adrenergic receptor (CALF-BOVINE)	BDBM50027227 (3-Methyl-1,2,3,4,4a,8-hexahydro-5-thia-3,12b-diaza...) Show SMILES CN1CCN2C(C1)c1sccc1Cc1ccccc21 Show InChI InChI=1S/C16H18N2S/c1-17-7-8-18-14-5-3-2-4-12(14)10-13-6-9-19-16(13)15(18)11-17/h2-6,9,15H,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site A using [3H]clonidine				J Med Chem 26: 1116-22 (1983) BindingDB Entry DOI: 10.7270/Q2SN07ZR
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50021151 (6-tert-Butoxycarbonylamino-2-(1-carboxymethyl-2-ox...) Show SMILES CC(C)(C)OC(=O)NCCCC[C@H](N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C(O)=O Show InChI InChI=1S/C23H33N3O7/c1-23(2,3)33-22(32)24-13-7-6-9-17(21(30)31)25-16-12-11-15-8-4-5-10-18(15)26(20(16)29)14-19(27)28/h4-5,8,10,16-17,25H,6-7,9,11-14H2,1-3H3,(H,24,32)(H,27,28)(H,30,31)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 1603-6 (1985) BindingDB Entry DOI: 10.7270/Q2ZK5H7D
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50027841 ((3-Mercaptomethyl-2-oxo-3,4,5,6-tetrahydro-2H-benz...) Show SMILES OC(=O)CN1c2ccccc2CCCC(CS)C1=O Show InChI InChI=1S/C14H17NO3S/c16-13(17)8-15-12-7-2-1-4-10(12)5-3-6-11(9-19)14(15)18/h1-2,4,7,11,19H,3,5-6,8-9H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit Angiotensin I converting enzyme was determined				J Med Chem 27: 816-8 (1984) BindingDB Entry DOI: 10.7270/Q20K2956
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50021138 (2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...) Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CSc2ccccc2)C(O)=O)C1=O Show InChI InChI=1S/C21H22N2O5S/c24-19(25)12-23-18-9-5-4-6-14(18)10-11-16(20(23)26)22-17(21(27)28)13-29-15-7-2-1-3-8-15/h1-9,16-17,22H,10-13H2,(H,24,25)(H,27,28)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 1603-6 (1985) BindingDB Entry DOI: 10.7270/Q2ZK5H7D
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50017129 ((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...) Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 1603-6 (1985) BindingDB Entry DOI: 10.7270/Q2ZK5H7D
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021129 (1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-p...) Show SMILES C[C@H](NC(CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14?,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme				J Med Chem 28: 1511-6 (1985) BindingDB Entry DOI: 10.7270/Q2BR8SRQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50021154 (2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...) Show SMILES CCCC[C@H](N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O)C(O)=O Show InChI InChI=1S/C18H24N2O5/c1-2-3-7-14(18(24)25)19-13-10-9-12-6-4-5-8-15(12)20(17(13)23)11-16(21)22/h4-6,8,13-14,19H,2-3,7,9-11H2,1H3,(H,21,22)(H,24,25)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme				J Med Chem 28: 1603-6 (1985) BindingDB Entry DOI: 10.7270/Q2ZK5H7D
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021127 (2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-ben...) Show SMILES OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme				J Med Chem 28: 1511-6 (1985) BindingDB Entry DOI: 10.7270/Q2BR8SRQ
					More data for this Ligand-Target Pair

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