Compile Data Set for Download or QSAR

Found 959 hits with Last Name = 'sawyer' and Initial = 't'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50212827 (CHEMBL3350189) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50281638 ((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-5-{(S)-3-(1H-imi...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O6/c1-5-30(4)42(45(57)48-26-33-18-11-12-21-47-33)52-43(55)36(29(2)3)24-39(53)37(22-31-14-7-6-8-15-31)51-44(56)38(23-34-25-46-28-49-34)50-41(54)27-58-40-20-13-17-32-16-9-10-19-35(32)40/h9-13,16-21,25,28-31,36-39,42,53H,5-8,14-15,22-24,26-27H2,1-4H3,(H,46,49)(H,48,57)(H,50,54)(H,51,56)(H,52,55)/t30?,36-,37-,38-,39-,42-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to renin				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50212827 (CHEMBL3350189) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to renin				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50281636 ((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C41H57N7O6/c1-5-26(4)37(41(54)44-24-29-16-11-12-20-43-29)48-38(51)30(25(2)3)22-35(49)33(21-27-13-7-6-8-14-27)46-40(53)34(23-36(42)50)47-39(52)32-19-18-28-15-9-10-17-31(28)45-32/h9-12,15-20,25-27,30,33-35,37,49H,5-8,13-14,21-24H2,1-4H3,(H2,42,50)(H,44,54)(H,46,53)(H,47,52)(H,48,51)/t26?,30-,33-,34-,35-,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin D				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50281636 ((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C41H57N7O6/c1-5-26(4)37(41(54)44-24-29-16-11-12-20-43-29)48-38(51)30(25(2)3)22-35(49)33(21-27-13-7-6-8-14-27)46-40(53)34(23-36(42)50)47-39(52)32-19-18-28-15-9-10-17-31(28)45-32/h9-12,15-20,25-27,30,33-35,37,49H,5-8,13-14,21-24H2,1-4H3,(H2,42,50)(H,44,54)(H,46,53)(H,47,52)(H,48,51)/t26?,30-,33-,34-,35-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin E				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281641 ((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C43H60N6O7/c1-5-28(4)40(43(55)46-25-31-18-11-12-21-45-31)49-41(53)33(27(2)3)23-36(50)34(22-29-14-7-6-8-15-29)48-42(54)35(24-38(44)51)47-39(52)26-56-37-20-13-17-30-16-9-10-19-32(30)37/h9-13,16-21,27-29,33-36,40,50H,5-8,14-15,22-26H2,1-4H3,(H2,44,51)(H,46,55)(H,47,52)(H,48,54)(H,49,53)/t28?,33-,34-,35-,36-,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281638 ((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-5-{(S)-3-(1H-imi...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O6/c1-5-30(4)42(45(57)48-26-33-18-11-12-21-47-33)52-43(55)36(29(2)3)24-39(53)37(22-31-14-7-6-8-15-31)51-44(56)38(23-34-25-46-28-49-34)50-41(54)27-58-40-20-13-17-32-16-9-10-19-35(32)40/h9-13,16-21,25,28-31,36-39,42,53H,5-8,14-15,22-24,26-27H2,1-4H3,(H,46,49)(H,48,57)(H,50,54)(H,51,56)(H,52,55)/t30?,36-,37-,38-,39-,42-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281651 ((2S,4S,5S)-5-Acetylamino-6-cyclohexyl-4-hydroxy-2-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(C)=O)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C29H48N4O4/c1-6-20(4)27(29(37)31-18-23-14-10-11-15-30-23)33-28(36)24(19(2)3)17-26(35)25(32-21(5)34)16-22-12-8-7-9-13-22/h10-11,14-15,19-20,22,24-27,35H,6-9,12-13,16-18H2,1-5H3,(H,31,37)(H,32,34)(H,33,36)/t20-,24-,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281640 (CHEMBL433729 | Pyridine-2-carboxylic acid ((1S,2S,...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccn1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C33H49N5O4/c1-5-23(4)30(33(42)36-21-25-15-9-11-17-34-25)38-31(40)26(22(2)3)20-29(39)28(19-24-13-7-6-8-14-24)37-32(41)27-16-10-12-18-35-27/h9-12,15-18,22-24,26,28-30,39H,5-8,13-14,19-21H2,1-4H3,(H,36,42)(H,37,41)(H,38,40)/t23?,26-,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281642 (((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-5-methyl-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C32H54N4O5/c1-8-22(4)28(30(39)34-20-24-16-12-13-17-33-24)36-29(38)25(21(2)3)19-27(37)26(18-23-14-10-9-11-15-23)35-31(40)41-32(5,6)7/h12-13,16-17,21-23,25-28,37H,8-11,14-15,18-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,38)/t22?,25-,26-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281636 ((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C41H57N7O6/c1-5-26(4)37(41(54)44-24-29-16-11-12-20-43-29)48-38(51)30(25(2)3)22-35(49)33(21-27-13-7-6-8-14-27)46-40(53)34(23-36(42)50)47-39(52)32-19-18-28-15-9-10-17-31(28)45-32/h9-12,15-20,25-27,30,33-35,37,49H,5-8,13-14,21-24H2,1-4H3,(H2,42,50)(H,44,54)(H,46,53)(H,47,52)(H,48,51)/t26?,30-,33-,34-,35-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281648 (CHEMBL166640 | [(S)-1-((1S,2S,4S)-1-Cyclohexylmeth...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C38H61N7O6/c1-8-25(4)33(36(49)41-22-27-16-12-13-17-40-27)45-34(47)29(24(2)3)20-32(46)30(18-26-14-10-9-11-15-26)43-35(48)31(19-28-21-39-23-42-28)44-37(50)51-38(5,6)7/h12-13,16-17,21,23-26,29-33,46H,8-11,14-15,18-20,22H2,1-7H3,(H,39,42)(H,41,49)(H,43,48)(H,44,50)(H,45,47)/t25?,29-,30-,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12197 ((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C34H46N4O8/c1-21(2)31(38-33(45)28(36-23(4)39)19-25-15-17-26(40)18-16-25)34(46)35-22(3)32(44)37-27(20-30(42)43)29(41)14-10-6-9-13-24-11-7-5-8-12-24/h5,7-8,11-12,15-18,21-22,27-28,31,40H,6,9-10,13-14,19-20H2,1-4H3,(H,35,46)(H,36,39)(H,37,44)(H,38,45)(H,42,43)/t22-,27-,28-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	11	-47.3	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50281636 ((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C41H57N7O6/c1-5-26(4)37(41(54)44-24-29-16-11-12-20-43-29)48-38(51)30(25(2)3)22-35(49)33(21-27-13-7-6-8-14-27)46-40(53)34(23-36(42)50)47-39(52)32-19-18-28-15-9-10-17-31(28)45-32/h9-12,15-20,25-27,30,33-35,37,49H,5-8,13-14,21-24H2,1-4H3,(H2,42,50)(H,44,54)(H,46,53)(H,47,52)(H,48,51)/t26?,30-,33-,34-,35-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to pepsin				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281644 (CHEMBL355867 | N*1*-[(1S,2S,4S)-1-Cyclohexylmethyl...) Show SMILES CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NCC(C)(C)C Show InChI InChI=1S/C34H51N5O5/c1-21(2)24(31(42)36-20-34(3,4)5)18-29(40)27(17-22-11-7-6-8-12-22)38-33(44)28(19-30(35)41)39-32(43)26-16-15-23-13-9-10-14-25(23)37-26/h9-10,13-16,21-22,24,27-29,40H,6-8,11-12,17-20H2,1-5H3,(H2,35,41)(H,36,42)(H,38,44)(H,39,43)/t24-,27-,28?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281643 ((2S,4S,5S)-5-Acetylamino-6-cyclohexyl-4-hydroxy-2-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(C)=O)C(C)C)C(=O)NCc1cccc[n+]1[O-] Show InChI InChI=1S/C29H48N4O5/c1-6-20(4)27(29(37)30-18-23-14-10-11-15-33(23)38)32-28(36)24(19(2)3)17-26(35)25(31-21(5)34)16-22-12-8-7-9-13-22/h10-11,14-15,19-20,22,24-27,35H,6-9,12-13,16-18H2,1-5H3,(H,30,37)(H,31,34)(H,32,36)/t20-,24-,25-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50212827 (CHEMBL3350189) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibition of HIV-2 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281652 ((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-2-isopropyl-5-{(...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C46H63N7O6/c1-6-31(4)43(46(58)48-26-34-19-12-13-22-47-34)52-44(56)37(30(2)3)25-40(54)38(23-32-15-8-7-9-16-32)51-45(57)39(24-35-27-53(5)29-49-35)50-42(55)28-59-41-21-14-18-33-17-10-11-20-36(33)41/h10-14,17-22,27,29-32,37-40,43,54H,6-9,15-16,23-26,28H2,1-5H3,(H,48,58)(H,50,55)(H,51,57)(H,52,56)/t31?,37-,38-,39-,40-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281639 ((2S,4S,5S)-6-Cyclohexyl-5-hexanoylamino-4-hydroxy-...) Show SMILES CCCCCC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C(C)CC)C(=O)NCc1ccccn1 Show InChI InChI=1S/C33H56N4O4/c1-6-8-10-18-30(39)36-28(20-25-15-11-9-12-16-25)29(38)21-27(23(3)4)32(40)37-31(24(5)7-2)33(41)35-22-26-17-13-14-19-34-26/h13-14,17,19,23-25,27-29,31,38H,6-12,15-16,18,20-22H2,1-5H3,(H,35,41)(H,36,39)(H,37,40)/t24?,27-,28-,29-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50281638 ((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-5-{(S)-3-(1H-imi...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O6/c1-5-30(4)42(45(57)48-26-33-18-11-12-21-47-33)52-43(55)36(29(2)3)24-39(53)37(22-31-14-7-6-8-15-31)51-44(56)38(23-34-25-46-28-49-34)50-41(54)27-58-40-20-13-17-32-16-9-10-19-35(32)40/h9-13,16-21,25,28-31,36-39,42,53H,5-8,14-15,22-24,26-27H2,1-4H3,(H,46,49)(H,48,57)(H,50,54)(H,51,56)(H,52,55)/t30?,36-,37-,38-,39-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin E				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281637 ((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-2-isopropyl-5-{(...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc12)C(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C44H63N5O6/c1-7-30(6)41(43(53)46-26-33-20-13-14-23-45-33)49-42(52)35(28(2)3)25-37(50)36(24-31-16-9-8-10-17-31)47-44(54)40(29(4)5)48-39(51)27-55-38-22-15-19-32-18-11-12-21-34(32)38/h11-15,18-23,28-31,35-37,40-41,50H,7-10,16-17,24-27H2,1-6H3,(H,46,53)(H,47,54)(H,48,51)(H,49,52)/t30?,35-,36-,37-,40-,41-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281646 ((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-2-isopropyl-5-(2...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)COc1ccccc1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C35H52N4O5/c1-5-25(4)33(35(43)37-22-27-16-12-13-19-36-27)39-34(42)29(24(2)3)21-31(40)30(20-26-14-8-6-9-15-26)38-32(41)23-44-28-17-10-7-11-18-28/h7,10-13,16-19,24-26,29-31,33,40H,5-6,8-9,14-15,20-23H2,1-4H3,(H,37,43)(H,38,41)(H,39,42)/t25?,29-,30-,31-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50281636 ((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C41H57N7O6/c1-5-26(4)37(41(54)44-24-29-16-11-12-20-43-29)48-38(51)30(25(2)3)22-35(49)33(21-27-13-7-6-8-14-27)46-40(53)34(23-36(42)50)47-39(52)32-19-18-28-15-9-10-17-31(28)45-32/h9-12,15-20,25-27,30,33-35,37,49H,5-8,13-14,21-24H2,1-4H3,(H2,42,50)(H,44,54)(H,46,53)(H,47,52)(H,48,51)/t26?,30-,33-,34-,35-,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of HIV-2 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281645 ((2S,4S,5S)-6-Cyclohexyl-5-(3,3-dimethyl-butyrylami...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C33H56N4O4/c1-8-23(4)30(32(41)35-21-25-16-12-13-17-34-25)37-31(40)26(22(2)3)19-28(38)27(18-24-14-10-9-11-15-24)36-29(39)20-33(5,6)7/h12-13,16-17,22-24,26-28,30,38H,8-11,14-15,18-21H2,1-7H3,(H,35,41)(H,36,39)(H,37,40)/t23?,26-,27-,28-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50281642 (((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-5-methyl-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C32H54N4O5/c1-8-22(4)28(30(39)34-20-24-16-12-13-17-33-24)36-29(38)25(21(2)3)19-27(37)26(18-23-14-10-9-11-15-23)35-31(40)41-32(5,6)7/h12-13,16-17,21-23,25-28,37H,8-11,14-15,18-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,38)/t22?,25-,26-,27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin E				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12066 ((3S)-3-({2-[4-(butan-2-yl)-3-methylphenoxy]benzene...) Show SMILES CCC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1C |r| Show InChI InChI=1S/C21H25NO6S/c1-4-14(2)18-10-9-17(11-15(18)3)28-19-7-5-6-8-20(19)29(26,27)22-16(13-23)12-21(24)25/h5-11,13-14,16,22H,4,12H2,1-3H3,(H,24,25)/t14?,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	-41.6	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50281642 (((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-5-methyl-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C32H54N4O5/c1-8-22(4)28(30(39)34-20-24-16-12-13-17-33-24)36-29(38)25(21(2)3)19-27(37)26(18-23-14-10-9-11-15-23)35-31(40)41-32(5,6)7/h12-13,16-17,21-23,25-28,37H,8-11,14-15,18-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,38)/t22?,25-,26-,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin D				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12064 ((3S)-3-({2-[3-methyl-4-(propan-2-yl)phenoxy]benzen...) Show SMILES CC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1C |r| Show InChI InChI=1S/C20H23NO6S/c1-13(2)17-9-8-16(10-14(17)3)27-18-6-4-5-7-19(18)28(25,26)21-15(12-22)11-20(23)24/h4-10,12-13,15,21H,11H2,1-3H3,(H,23,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	-41.3	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50212827 (CHEMBL3350189) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin E				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50281638 ((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-5-{(S)-3-(1H-imi...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O6/c1-5-30(4)42(45(57)48-26-33-18-11-12-21-47-33)52-43(55)36(29(2)3)24-39(53)37(22-31-14-7-6-8-15-31)51-44(56)38(23-34-25-46-28-49-34)50-41(54)27-58-40-20-13-17-32-16-9-10-19-35(32)40/h9-13,16-21,25,28-31,36-39,42,53H,5-8,14-15,22-24,26-27H2,1-4H3,(H,46,49)(H,48,57)(H,50,54)(H,51,56)(H,52,55)/t30?,36-,37-,38-,39-,42-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of HIV-2 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50281638 ((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-5-{(S)-3-(1H-imi...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O6/c1-5-30(4)42(45(57)48-26-33-18-11-12-21-47-33)52-43(55)36(29(2)3)24-39(53)37(22-31-14-7-6-8-15-31)51-44(56)38(23-34-25-46-28-49-34)50-41(54)27-58-40-20-13-17-32-16-9-10-19-35(32)40/h9-13,16-21,25,28-31,36-39,42,53H,5-8,14-15,22-24,26-27H2,1-4H3,(H,46,49)(H,48,57)(H,50,54)(H,51,56)(H,52,55)/t30?,36-,37-,38-,39-,42-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin D				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50281636 ((S)-N*1*-((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C41H57N7O6/c1-5-26(4)37(41(54)44-24-29-16-11-12-20-43-29)48-38(51)30(25(2)3)22-35(49)33(21-27-13-7-6-8-14-27)46-40(53)34(23-36(42)50)47-39(52)32-19-18-28-15-9-10-17-31(28)45-32/h9-12,15-20,25-27,30,33-35,37,49H,5-8,13-14,21-24H2,1-4H3,(H2,42,50)(H,44,54)(H,46,53)(H,47,52)(H,48,51)/t26?,30-,33-,34-,35-,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	212	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to renin				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50212827 (CHEMBL3350189) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article	265	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to pepsin				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50281638 ((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-5-{(S)-3-(1H-imi...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O6/c1-5-30(4)42(45(57)48-26-33-18-11-12-21-47-33)52-43(55)36(29(2)3)24-39(53)37(22-31-14-7-6-8-15-31)51-44(56)38(23-34-25-46-28-49-34)50-41(54)27-58-40-20-13-17-32-16-9-10-19-35(32)40/h9-13,16-21,25,28-31,36-39,42,53H,5-8,14-15,22-24,26-27H2,1-4H3,(H,46,49)(H,48,57)(H,50,54)(H,51,56)(H,52,55)/t30?,36-,37-,38-,39-,42-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to pepsin				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12070 ((3S)-4-oxo-3-{[2-(4-phenylphenoxy)benzene]sulfonam...) Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)-c1ccccc1)C=O |r| Show InChI InChI=1S/C22H19NO6S/c24-15-18(14-22(25)26)23-30(27,28)21-9-5-4-8-20(21)29-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13,15,18,23H,14H2,(H,25,26)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	290	-38.8	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50281642 (((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-5-methyl-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C32H54N4O5/c1-8-22(4)28(30(39)34-20-24-16-12-13-17-33-24)36-29(38)25(21(2)3)19-27(37)26(18-23-14-10-9-11-15-23)35-31(40)41-32(5,6)7/h12-13,16-17,21-23,25-28,37H,8-11,14-15,18-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,38)/t22?,25-,26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to pepsin				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12062 ((3S)-4-oxo-3-({2-[3-(propan-2-yl)phenoxy]benzene}s...) Show SMILES CC(C)c1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1 |r| Show InChI InChI=1S/C19H21NO6S/c1-13(2)14-6-5-7-16(10-14)26-17-8-3-4-9-18(17)27(24,25)20-15(12-21)11-19(22)23/h3-10,12-13,15,20H,11H2,1-2H3,(H,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	410	-37.9	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12058 ((3S)-3-{[2-(3-methylphenoxy)benzene]sulfonamido}-4...) Show SMILES Cc1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1 |r| Show InChI InChI=1S/C17H17NO6S/c1-12-5-4-6-14(9-12)24-15-7-2-3-8-16(15)25(22,23)18-13(11-19)10-17(20)21/h2-9,11,13,18H,10H2,1H3,(H,20,21)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	430	-37.8	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12067 ((3S)-4-oxo-3-({2-[4-(pentan-3-yl)phenoxy]benzene}s...) Show SMILES CCC(CC)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r| Show InChI InChI=1S/C21H25NO6S/c1-3-15(4-2)16-9-11-18(12-10-16)28-19-7-5-6-8-20(19)29(26,27)22-17(14-23)13-21(24)25/h5-12,14-15,17,22H,3-4,13H2,1-2H3,(H,24,25)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	440	-37.7	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12061 ((3S)-4-oxo-3-{[2-(3,4,5-trimethylphenoxy)benzene]s...) Show SMILES Cc1cc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc(C)c1C |r| Show InChI InChI=1S/C19H21NO6S/c1-12-8-16(9-13(2)14(12)3)26-17-6-4-5-7-18(17)27(24,25)20-15(11-21)10-19(22)23/h4-9,11,15,20H,10H2,1-3H3,(H,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	450	-37.7	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12065 ((3S)-3-({2-[4-(butan-2-yl)phenoxy]benzene}sulfonam...) Show SMILES CCC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r| Show InChI InChI=1S/C20H23NO6S/c1-3-14(2)15-8-10-17(11-9-15)27-18-6-4-5-7-19(18)28(25,26)21-16(13-22)12-20(23)24/h4-11,13-14,16,21H,3,12H2,1-2H3,(H,23,24)/t14?,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	490	-37.5	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12063 ((3S)-4-oxo-3-({2-[4-(propan-2-yl)phenoxy]benzene}s...) Show SMILES CC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r| Show InChI InChI=1S/C19H21NO6S/c1-13(2)14-7-9-16(10-8-14)26-17-5-3-4-6-18(17)27(24,25)20-15(12-21)11-19(22)23/h3-10,12-13,15,20H,11H2,1-2H3,(H,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	620	-36.9	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281650 ((2S,4S,5S)-5-Amino-6-cyclohexyl-4-hydroxy-2-isopro...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C27H46N4O3/c1-5-19(4)25(27(34)30-17-21-13-9-10-14-29-21)31-26(33)22(18(2)3)16-24(32)23(28)15-20-11-7-6-8-12-20/h9-10,13-14,18-20,22-25,32H,5-8,11-12,15-17,28H2,1-4H3,(H,30,34)(H,31,33)/t19-,22-,23-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12068 ((3S)-3-{[2-(4-cyclopentylphenoxy)benzene]sulfonami...) Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)C1CCCC1)C=O |r| Show InChI InChI=1S/C21H23NO6S/c23-14-17(13-21(24)25)22-29(26,27)20-8-4-3-7-19(20)28-18-11-9-16(10-12-18)15-5-1-2-6-15/h3-4,7-12,14-15,17,22H,1-2,5-6,13H2,(H,24,25)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	880	-36.0	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12069 ((3S)-3-{[2-(4-cyclohexylphenoxy)benzene]sulfonamid...) Show SMILES OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)C1CCCCC1)C=O |r| Show InChI InChI=1S/C22H25NO6S/c24-15-18(14-22(25)26)23-30(27,28)21-9-5-4-8-20(21)29-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h4-5,8-13,15-16,18,23H,1-3,6-7,14H2,(H,25,26)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	900	-35.9	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12060 ((3S)-3-{[2-(2,3-dimethylphenoxy)benzene]sulfonamid...) Show SMILES Cc1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1C |r| Show InChI InChI=1S/C18H19NO6S/c1-12-6-5-8-15(13(12)2)25-16-7-3-4-9-17(16)26(23,24)19-14(11-20)10-18(21)22/h3-9,11,14,19H,10H2,1-2H3,(H,21,22)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	-35.6	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281647 ((2S,4S,5S)-5-Acetylamino-6-cyclohexyl-4-hydroxy-2-...) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(C)=O)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C29H48N4O4/c1-6-20(4)27(29(37)31-18-23-14-10-11-15-30-23)33-28(36)24(19(2)3)17-26(35)25(32-21(5)34)16-22-12-8-7-9-13-22/h10-11,14-15,19-20,22,24-27,35H,6-9,12-13,16-18H2,1-5H3,(H,31,37)(H,32,34)(H,33,36)/t20-,24+,25+,26+,27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50212827 (CHEMBL3350189) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin D				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281649 ((S)-2-((2S,4S,5S)-5-{(S)-3-Carbamoyl-2-[(quinoline...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(O)=O Show InChI InChI=1S/C35H51N5O7/c1-5-21(4)31(35(46)47)40-32(43)24(20(2)3)18-29(41)27(17-22-11-7-6-8-12-22)38-34(45)28(19-30(36)42)39-33(44)26-16-15-23-13-9-10-14-25(23)37-26/h9-10,13-16,20-22,24,27-29,31,41H,5-8,11-12,17-19H2,1-4H3,(H2,36,42)(H,38,45)(H,39,44)(H,40,43)(H,46,47)/t21?,24-,27-,28-,29-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM12059 ((3S)-3-{[2-(4-methylphenoxy)benzene]sulfonamido}-4...) Show SMILES Cc1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r| Show InChI InChI=1S/C17H17NO6S/c1-12-6-8-14(9-7-12)24-15-4-2-3-5-16(15)25(22,23)18-13(11-19)10-17(20)21/h2-9,11,13,18H,10H2,1H3,(H,20,21)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	-35.4	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair

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