Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'calugi' and Initial = 'c'   

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
Candidapepsin-2 (Candida albicans)	BDBM50402348 (CHEMBL2206678) Show SMILES CCCCNC(=O)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1CCN([C@H](Cc2ccccc2)C1=O)C(=O)N1CCN(C)CC1)C(C)C |r| Show InChI InChI=1S/C42H70N6O5/c1-6-8-20-36(40(51)44-35(28-32-16-12-10-13-17-32)38(49)30-34(31(3)4)39(50)43-21-9-7-2)47-26-27-48(42(53)46-24-22-45(5)23-25-46)37(41(47)52)29-33-18-14-11-15-19-33/h11,14-15,18-19,31-32,34-38,49H,6-10,12-13,16-17,20-30H2,1-5H3,(H,43,50)(H,44,51)/t34-,35+,36+,37-,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of candida albicans SAP2				Bioorg Med Chem 20: 7206-13 (2012) Article DOI: 10.1016/j.bmc.2012.09.031 BindingDB Entry DOI: 10.7270/Q2BP03ZD
					More data for this Ligand-Target Pair
Candidapepsin-2 (Candida albicans)	BDBM50402357 (CHEMBL589301) Show SMILES O=C([C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2)N1CCCCC1 |r| Show InChI InChI=1S/C18H22N2O4/c21-17(19-9-5-2-6-10-19)15-16-18(22)20(12-14(23-15)24-16)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-12H2/t14-,15-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis				Bioorg Med Chem 20: 7206-13 (2012) Article DOI: 10.1016/j.bmc.2012.09.031 BindingDB Entry DOI: 10.7270/Q2BP03ZD
					More data for this Ligand-Target Pair
Candidapepsin-2 (Candida albicans)	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis				Bioorg Med Chem 20: 7206-13 (2012) Article DOI: 10.1016/j.bmc.2012.09.031 BindingDB Entry DOI: 10.7270/Q2BP03ZD
					More data for this Ligand-Target Pair
Candidapepsin-2 (Candida albicans)	BDBM50402356 (CHEMBL2206670) Show SMILES CC(C)C[C@@H](CO)NC(=O)C1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 |r| Show InChI InChI=1S/C19H26N2O5/c1-12(2)8-14(11-22)20-18(23)16-17-19(24)21(10-15(25-16)26-17)9-13-6-4-3-5-7-13/h3-7,12,14-17,22H,8-11H2,1-2H3,(H,20,23)/t14-,15+,16?,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis				Bioorg Med Chem 20: 7206-13 (2012) Article DOI: 10.1016/j.bmc.2012.09.031 BindingDB Entry DOI: 10.7270/Q2BP03ZD
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50052804 (CHEMBL602523) Show SMILES [H][C@@]12O[C@@H](C(=O)NCC#C)[C@@]([H])(O1)C(=O)N(Cc1ccccc1)[C@H]2Cc1ccccc1 |r| Show InChI InChI=1S/C23H22N2O4/c1-2-13-24-21(26)19-20-22(27)25(15-17-11-7-4-8-12-17)18(23(28-19)29-20)14-16-9-5-3-6-10-16/h1,3-12,18-20,23H,13-15H2,(H,24,26)/t18-,19+,20+,23+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease using DABCYL-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 15 mins before substrate addition m...				Eur J Med Chem 84: 444-53 (2014) Article DOI: 10.1016/j.ejmech.2014.07.049 BindingDB Entry DOI: 10.7270/Q2GB25P6
					More data for this Ligand-Target Pair
Candidapepsin-2 (Candida albicans)	BDBM50402349 (CHEMBL2206677) Show SMILES COC(=O)[C@@H](CC(C)C)N1C[C@H]2O[C@@H]([C@H](O2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C18H28N2O6/c1-11(2)9-12(18(23)24-3)20-10-13-25-14(15(26-13)17(20)22)16(21)19-7-5-4-6-8-19/h11-15H,4-10H2,1-3H3/t12-,13+,14+,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis				Bioorg Med Chem 20: 7206-13 (2012) Article DOI: 10.1016/j.bmc.2012.09.031 BindingDB Entry DOI: 10.7270/Q2BP03ZD
					More data for this Ligand-Target Pair
Candidapepsin-2 (Candida albicans)	BDBM50402350 (CHEMBL2206676) Show SMILES COC(=O)[C@@H](CC(C)C)N1C[C@@H]2O[C@H]([C@@H](O2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C18H28N2O6/c1-11(2)9-12(18(23)24-3)20-10-13-25-14(15(26-13)17(20)22)16(21)19-7-5-4-6-8-19/h11-15H,4-10H2,1-3H3/t12-,13-,14-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis				Bioorg Med Chem 20: 7206-13 (2012) Article DOI: 10.1016/j.bmc.2012.09.031 BindingDB Entry DOI: 10.7270/Q2BP03ZD
					More data for this Ligand-Target Pair
Candidapepsin-2 (Candida albicans)	BDBM50402352 (CHEMBL2206674) Show SMILES COC(=O)[C@H](CC(C)C)N1C[C@@H]2O[C@H]([C@@H](O2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C18H28N2O6/c1-11(2)9-12(18(23)24-3)20-10-13-25-14(15(26-13)17(20)22)16(21)19-7-5-4-6-8-19/h11-15H,4-10H2,1-3H3/t12-,13+,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis				Bioorg Med Chem 20: 7206-13 (2012) Article DOI: 10.1016/j.bmc.2012.09.031 BindingDB Entry DOI: 10.7270/Q2BP03ZD
					More data for this Ligand-Target Pair
Candidapepsin-2 (Candida albicans)	BDBM50402358 (CHEMBL2206669) Show SMILES O=C([C@H]1O[C@@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2)N1CCCCC1 |r| Show InChI InChI=1S/C18H22N2O4/c21-17(19-9-5-2-6-10-19)15-16-18(22)20(12-14(23-15)24-16)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-12H2/t14-,15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis				Bioorg Med Chem 20: 7206-13 (2012) Article DOI: 10.1016/j.bmc.2012.09.031 BindingDB Entry DOI: 10.7270/Q2BP03ZD
					More data for this Ligand-Target Pair
Candidapepsin-2 (Candida albicans)	BDBM50402355 (CHEMBL2206671) Show SMILES CC(C)C[C@@H](CO)NC(=O)C1O[C@@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2 |r| Show InChI InChI=1S/C19H26N2O5/c1-12(2)8-14(11-22)20-18(23)16-17-19(24)21(10-15(25-16)26-17)9-13-6-4-3-5-7-13/h3-7,12,14-17,22H,8-11H2,1-2H3,(H,20,23)/t14-,15-,16?,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis				Bioorg Med Chem 20: 7206-13 (2012) Article DOI: 10.1016/j.bmc.2012.09.031 BindingDB Entry DOI: 10.7270/Q2BP03ZD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM50420292 (CHEMBL2088995) Show SMILES ONC(=O)[C@H]1[C@H](CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)OCc1ccccc1 |r| Show InChI InChI=1S/C18H18Cl2N2O5S/c19-14-7-6-13(10-15(14)20)28(25,26)22-9-8-16(17(22)18(23)21-24)27-11-12-4-2-1-3-5-12/h1-7,10,16-17,24H,8-9,11H2,(H,21,23)/t16-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis lethal factor using protease substrate-2 assessed as release of p-nitroaniline measured for 10 mins by spectrophotom...				Eur J Med Chem 56: 96-107 (2012) Article DOI: 10.1016/j.ejmech.2012.08.028 BindingDB Entry DOI: 10.7270/Q22B9094
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50052808 (CHEMBL592182) Show SMILES [H][C@]12CN(Cc3ccccc3)C(=O)[C@]([H])(O1)[C@@H](O2)C(=O)N[C@@H](C)CO |r| Show InChI InChI=1S/C16H20N2O5/c1-10(9-19)17-15(20)13-14-16(21)18(8-12(22-13)23-14)7-11-5-3-2-4-6-11/h2-6,10,12-14,19H,7-9H2,1H3,(H,17,20)/t10-,12+,13+,14+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease using DABCYL-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 15 mins before substrate addition m...				Eur J Med Chem 84: 444-53 (2014) Article DOI: 10.1016/j.ejmech.2014.07.049 BindingDB Entry DOI: 10.7270/Q2GB25P6
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM50420293 (CHEMBL2088996) Show SMILES ONC(=O)[C@H]1[C@H](CCN1S(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1 |r| Show InChI InChI=1S/C18H19ClN2O5S/c19-14-6-8-15(9-7-14)27(24,25)21-11-10-16(17(21)18(22)20-23)26-12-13-4-2-1-3-5-13/h1-9,16-17,23H,10-12H2,(H,20,22)/t16-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis lethal factor using protease substrate-2 assessed as release of p-nitroaniline measured for 10 mins by spectrophotom...				Eur J Med Chem 56: 96-107 (2012) Article DOI: 10.1016/j.ejmech.2012.08.028 BindingDB Entry DOI: 10.7270/Q22B9094
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50052806 (CHEMBL600779) Show SMILES [H][C@@]12O[C@@H](C(=O)NC3CCCCC3)[C@@]([H])(O1)C(=O)N(Cc1ccccc1)[C@H]2Cc1ccccc1 |r| Show InChI InChI=1S/C26H30N2O4/c29-24(27-20-14-8-3-9-15-20)22-23-25(30)28(17-19-12-6-2-7-13-19)21(26(31-22)32-23)16-18-10-4-1-5-11-18/h1-2,4-7,10-13,20-23,26H,3,8-9,14-17H2,(H,27,29)/t21-,22+,23+,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease using DABCYL-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 15 mins before substrate addition m...				Eur J Med Chem 84: 444-53 (2014) Article DOI: 10.1016/j.ejmech.2014.07.049 BindingDB Entry DOI: 10.7270/Q2GB25P6
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM50420291 (CHEMBL2088991) Show SMILES COc1ccc(C(=O)N[C@@H]2C[C@@H](N(C2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C(=O)NO)c(OC)c1 |r| Show InChI InChI=1S/C20H21Cl2N3O7S/c1-31-12-3-5-14(18(8-12)32-2)19(26)23-11-7-17(20(27)24-28)25(10-11)33(29,30)13-4-6-15(21)16(22)9-13/h3-6,8-9,11,17,28H,7,10H2,1-2H3,(H,23,26)(H,24,27)/t11-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis lethal factor using protease substrate-2 assessed as release of p-nitroaniline measured for 10 mins by spectrophotom...				Eur J Med Chem 56: 96-107 (2012) Article DOI: 10.1016/j.ejmech.2012.08.028 BindingDB Entry DOI: 10.7270/Q22B9094
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50052807 (CHEMBL591948) Show SMILES [H][C@]12CN(Cc3ccccc3)C(=O)[C@]([H])(O1)[C@@H](O2)C(=O)N[C@H](CO)CC(C)C |r| Show InChI InChI=1S/C19H26N2O5/c1-12(2)8-14(11-22)20-18(23)16-17-19(24)21(10-15(25-16)26-17)9-13-6-4-3-5-7-13/h3-7,12,14-17,22H,8-11H2,1-2H3,(H,20,23)/t14-,15+,16+,17+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease using DABCYL-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 15 mins before substrate addition m...				Eur J Med Chem 84: 444-53 (2014) Article DOI: 10.1016/j.ejmech.2014.07.049 BindingDB Entry DOI: 10.7270/Q2GB25P6
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50052803 (CHEMBL591503) Show SMILES [H][C@@]12O[C@@H](C(=O)N3CCN(CCO)CC3)[C@@]([H])(O1)C(=O)N(Cc1ccccc1)[C@H]2Cc1ccccc1 |r| Show InChI InChI=1S/C26H31N3O5/c30-16-15-27-11-13-28(14-12-27)24(31)22-23-25(32)29(18-20-9-5-2-6-10-20)21(26(33-22)34-23)17-19-7-3-1-4-8-19/h1-10,21-23,26,30H,11-18H2/t21-,22+,23+,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease using DABCYL-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 15 mins before substrate addition m...				Eur J Med Chem 84: 444-53 (2014) Article DOI: 10.1016/j.ejmech.2014.07.049 BindingDB Entry DOI: 10.7270/Q2GB25P6
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50052805 (CHEMBL590529) Show SMILES [H][C@@]12O[C@@H](C(=O)NCCCC)[C@@]([H])(O1)C(=O)N(Cc1ccccc1)[C@H]2Cc1ccccc1 |r| Show InChI InChI=1S/C24H28N2O4/c1-2-3-14-25-22(27)20-21-23(28)26(16-18-12-8-5-9-13-18)19(24(29-20)30-21)15-17-10-6-4-7-11-17/h4-13,19-21,24H,2-3,14-16H2,1H3,(H,25,27)/t19-,20+,21+,24+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease using DABCYL-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 15 mins before substrate addition m...				Eur J Med Chem 84: 444-53 (2014) Article DOI: 10.1016/j.ejmech.2014.07.049 BindingDB Entry DOI: 10.7270/Q2GB25P6
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM50420290 (CHEMBL2088987) Show SMILES ONC(=O)[C@H]1C[C@H](CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)OCc1ccccc1 |r| Show InChI InChI=1S/C18H18Cl2N2O5S/c19-15-7-6-14(9-16(15)20)28(25,26)22-10-13(8-17(22)18(23)21-24)27-11-12-4-2-1-3-5-12/h1-7,9,13,17,24H,8,10-11H2,(H,21,23)/t13-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis lethal factor using protease substrate-2 assessed as release of p-nitroaniline measured for 10 mins by spectrophotom...				Eur J Med Chem 56: 96-107 (2012) Article DOI: 10.1016/j.ejmech.2012.08.028 BindingDB Entry DOI: 10.7270/Q22B9094
					More data for this Ligand-Target Pair
Candidapepsin-2 (Candida albicans)	BDBM50402351 (CHEMBL2206675) Show SMILES COC(=O)[C@H](CC(C)C)N1C[C@H]2O[C@@H]([C@H](O2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C18H28N2O6/c1-11(2)9-12(18(23)24-3)20-10-13-25-14(15(26-13)17(20)22)16(21)19-7-5-4-6-8-19/h11-15H,4-10H2,1-3H3/t12-,13-,14-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis				Bioorg Med Chem 20: 7206-13 (2012) Article DOI: 10.1016/j.bmc.2012.09.031 BindingDB Entry DOI: 10.7270/Q2BP03ZD
					More data for this Ligand-Target Pair
Candidapepsin-2 (Candida albicans)	BDBM50402353 (CHEMBL2206673) Show SMILES CC(C)C[C@H](CO)NC(=O)C1O[C@@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2 |r| Show InChI InChI=1S/C19H26N2O5/c1-12(2)8-14(11-22)20-18(23)16-17-19(24)21(10-15(25-16)26-17)9-13-6-4-3-5-7-13/h3-7,12,14-17,22H,8-11H2,1-2H3,(H,20,23)/t14-,15+,16?,17+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis				Bioorg Med Chem 20: 7206-13 (2012) Article DOI: 10.1016/j.bmc.2012.09.031 BindingDB Entry DOI: 10.7270/Q2BP03ZD
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM50420294 (CHEMBL2088997) Show SMILES CCCCCCO[C@H]1CCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H25ClN2O5S/c1-2-3-4-5-12-25-15-10-11-20(16(15)17(21)19-22)26(23,24)14-8-6-13(18)7-9-14/h6-9,15-16,22H,2-5,10-12H2,1H3,(H,19,21)/t15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis lethal factor using protease substrate-2 assessed as release of p-nitroaniline measured for 10 mins by spectrophotom...				Eur J Med Chem 56: 96-107 (2012) Article DOI: 10.1016/j.ejmech.2012.08.028 BindingDB Entry DOI: 10.7270/Q22B9094
					More data for this Ligand-Target Pair
Candidapepsin-2 (Candida albicans)	BDBM50402354 (CHEMBL2206672) Show SMILES CC(C)C[C@H](CO)NC(=O)C1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 |r| Show InChI InChI=1S/C19H26N2O5/c1-12(2)8-14(11-22)20-18(23)16-17-19(24)21(10-15(25-16)26-17)9-13-6-4-3-5-7-13/h3-7,12,14-17,22H,8-11H2,1-2H3,(H,20,23)/t14-,15-,16?,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis				Bioorg Med Chem 20: 7206-13 (2012) Article DOI: 10.1016/j.bmc.2012.09.031 BindingDB Entry DOI: 10.7270/Q2BP03ZD
					More data for this Ligand-Target Pair