Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'rodeschini' and Initial = 'v'   

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
Caspase-1 (Homo sapiens (Human))	BDBM50453060 (CHEMBL4203893) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(CC(=O)N[C@H]2CC(=O)OC2O)c1=O |r| Show InChI InChI=1S/C28H27N7O7/c1-15(2)34-13-21(26(39)35(28(34)41)14-23(36)32-20-11-24(37)42-27(20)40)33-25(38)16-7-9-17(10-8-16)30-22-12-29-18-5-3-4-6-19(18)31-22/h3-10,12-13,15,20,27,40H,11,14H2,1-2H3,(H,30,31)(H,32,36)(H,33,38)/t20-,27?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453029 (CHEMBL4216115) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C30H29N7O7/c1-16(2)36-15-22(26(40)37(29(36)43)30(11-12-30)28(42)35-21-13-24(38)44-27(21)41)34-25(39)17-7-9-18(10-8-17)32-23-14-31-19-5-3-4-6-20(19)33-23/h3-10,14-16,21,27,41H,11-13H2,1-2H3,(H,32,33)(H,34,39)(H,35,42)/t21-,27?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453944 (CHEMBL4217577) Show SMILES CC(C)(C)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C22H29ClN4O6/c1-22(2,3)17(26-18(29)11-6-7-13(24)12(23)9-11)20(31)27-8-4-5-15(27)19(30)25-14-10-16(28)33-21(14)32/h6-7,9,14-15,17,21,32H,4-5,8,10,24H2,1-3H3,(H,25,30)(H,26,29)/t14-,15-,17+,21?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Edelris Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase1 expressed in Escherichia coli using AC-WEHD-AMC as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 27: 5373-5377 (2017) Article DOI: 10.1016/j.bmcl.2017.11.015 BindingDB Entry DOI: 10.7270/Q2377C96
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453053 (CHEMBL4213802) Show SMILES CC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cn(C)c1=O |r| Show InChI InChI=1S/C27H25N7O7/c1-14(23(36)31-19-11-22(35)41-26(19)39)34-25(38)20(13-33(2)27(34)40)32-24(37)15-7-9-16(10-8-15)29-21-12-28-17-5-3-4-6-18(17)30-21/h3-10,12-14,19,26,39H,11H2,1-2H3,(H,29,30)(H,31,36)(H,32,37)/t14?,19-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453053 (CHEMBL4213802) Show SMILES CC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cn(C)c1=O |r| Show InChI InChI=1S/C27H25N7O7/c1-14(23(36)31-19-11-22(35)41-26(19)39)34-25(38)20(13-33(2)27(34)40)32-24(37)15-7-9-16(10-8-15)29-21-12-28-17-5-3-4-6-18(17)30-21/h3-10,12-14,19,26,39H,11H2,1-2H3,(H,29,30)(H,31,36)(H,32,37)/t14?,19-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453052 (CHEMBL4203378) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(C(C)C(=O)N[C@H]2CC(=O)OC2O)c1=O |r| Show InChI InChI=1S/C17H24Cl2N2O/c1-20(2)15-6-4-5-7-16(15)21(3)17(22)11-12-8-9-13(18)14(19)10-12/h8-10,15-16H,4-7,11H2,1-3H3/t15-,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	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453034 (CHEMBL4211859) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C33H33N5O7/c1-18(2)37-17-26(29(41)38(32(37)44)33(12-13-33)31(43)36-25-16-27(39)45-30(25)42)35-28(40)24-11-10-22(14-19(24)3)34-23-9-8-20-6-4-5-7-21(20)15-23/h4-11,14-15,17-18,25,30,34,42H,12-13,16H2,1-3H3,(H,35,40)(H,36,43)/t25-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453945 (CHEMBL4205880) Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CCCC2)NC(=O)c1nccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C25H28N4O6/c30-20-13-18(25(34)35-20)28-22(31)19-10-9-15-6-2-4-8-17(24(33)29(15)19)27-23(32)21-16-7-3-1-5-14(16)11-12-26-21/h1,3,5,7,11-12,15,17-19,25,34H,2,4,6,8-10,13H2,(H,27,32)(H,28,31)/t15-,17-,18-,19-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Edelris Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase1 expressed in Escherichia coli using AC-WEHD-AMC as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 27: 5373-5377 (2017) Article DOI: 10.1016/j.bmcl.2017.11.015 BindingDB Entry DOI: 10.7270/Q2377C96
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453028 (CHEMBL4204225) Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1C2CCC(O)(CC2)C1C(=O)N[C@H]1CC(=O)OC1O |r,wU:31.34,wD:3.3,TLB:17:19:22.21:25.26,THB:28:27:22.21:25.26,(22.02,-19.37,;20.71,-18.6,;19.36,-19.36,;20.71,-17.06,;19.38,-16.28,;18.05,-17.04,;18.05,-18.58,;16.72,-16.27,;16.72,-14.72,;15.4,-13.95,;14.07,-14.71,;12.74,-13.94,;11.41,-14.71,;11.41,-16.25,;12.74,-17.02,;14.07,-16.26,;15.4,-17.02,;22.04,-16.3,;22.04,-14.77,;23.37,-17.08,;23.96,-18.5,;22.85,-19.96,;24.34,-19.55,;25.64,-17.84,;26.41,-16.5,;27.34,-18.43,;25.83,-18.96,;24.9,-16.45,;24.9,-14.91,;23.57,-14.14,;26.23,-14.14,;26.2,-12.61,;24.82,-11.85,;25.14,-10.28,;24.02,-9.22,;26.66,-10.09,;27.33,-11.53,;28.81,-11.89,)| Show InChI InChI=1S/C28H33N3O7/c1-15(2)22(30-24(33)18-8-7-16-5-3-4-6-17(16)13-18)26(35)31-19-9-11-28(37,12-10-19)23(31)25(34)29-20-14-21(32)38-27(20)36/h3-8,13,15,19-20,22-23,27,36-37H,9-12,14H2,1-2H3,(H,29,34)(H,30,33)/t19?,20-,22-,23?,27?,28?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453946 (CHEMBL4205336) Show SMILES [H][C@]12CC[C@](O)(CC1)[C@H](N2C(=O)[C@@H](NC(=O)c1ccc2ccccc2c1)C(C)C)C(=O)N[C@H]1CC(=O)OC1O |r,wU:12.29,8.32,wD:4.4,1.0,32.35,(59.86,-12.32,;58.32,-12.32,;57.56,-13.65,;56.02,-13.65,;55.24,-12.32,;53.7,-12.31,;56.6,-12.95,;56.98,-11.71,;56.02,-10.99,;57.56,-10.99,;58.33,-9.66,;57.56,-8.32,;59.87,-9.66,;60.64,-8.32,;62.18,-8.33,;62.95,-9.66,;62.96,-6.99,;62.18,-5.66,;62.95,-4.33,;64.5,-4.33,;65.27,-3,;66.8,-3,;67.57,-4.34,;66.8,-5.67,;65.26,-5.66,;64.5,-7,;60.64,-10.99,;62.18,-10.99,;60.62,-12.54,;55.25,-9.66,;56.02,-8.32,;53.71,-9.66,;52.93,-8.32,;52.97,-6.78,;51.51,-6.27,;51.07,-4.79,;50.58,-7.5,;51.45,-8.77,;50.94,-10.21,)| Show InChI InChI=1S/C28H33N3O7/c1-15(2)22(30-24(33)18-8-7-16-5-3-4-6-17(16)13-18)26(35)31-19-9-11-28(37,12-10-19)23(31)25(34)29-20-14-21(32)38-27(20)36/h3-8,13,15,19-20,22-23,27,36-37H,9-12,14H2,1-2H3,(H,29,34)(H,30,33)/t19-,20-,22-,23+,27?,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Edelris Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase1 expressed in Escherichia coli using AC-WEHD-AMC as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 27: 5373-5377 (2017) Article DOI: 10.1016/j.bmcl.2017.11.015 BindingDB Entry DOI: 10.7270/Q2377C96
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453045 (CHEMBL4215570) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2)c(=O)n(CC(=O)N[C@H]2CC(=O)OC2O)c1=O |r| Show InChI InChI=1S/C30H29N5O7/c1-17(2)34-15-24(28(39)35(30(34)41)16-25(36)32-23-14-26(37)42-29(23)40)33-27(38)19-8-10-21(11-9-19)31-22-12-7-18-5-3-4-6-20(18)13-22/h3-13,15,17,23,29,31,40H,14,16H2,1-2H3,(H,32,36)(H,33,38)/t23-,29?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453065 (CHEMBL4212402) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C32H31N5O7/c1-18(2)36-17-25(28(40)37(31(36)43)32(13-14-32)30(42)35-24-16-26(38)44-29(24)41)34-27(39)20-8-10-22(11-9-20)33-23-12-7-19-5-3-4-6-21(19)15-23/h3-12,15,17-18,24,29,33,41H,13-14,16H2,1-2H3,(H,34,39)(H,35,42)/t24-,29?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of caspase-1 in human THP1 cells assessed as decrease in LPS-induced IL-1beta secretion after overnight incubation by sandwich immunoassay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453029 (CHEMBL4216115) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C30H29N7O7/c1-16(2)36-15-22(26(40)37(29(36)43)30(11-12-30)28(42)35-21-13-24(38)44-27(21)41)34-25(39)17-7-9-18(10-8-17)32-23-14-31-19-5-3-4-6-20(19)33-23/h3-10,14-16,21,27,41H,11-13H2,1-2H3,(H,32,33)(H,34,39)(H,35,42)/t21-,27?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of caspase-1 in human THP1 cells assessed as decrease in LPS-induced IL-1beta secretion after overnight incubation by sandwich immunoassay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453053 (CHEMBL4213802) Show SMILES CC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cn(C)c1=O |r| Show InChI InChI=1S/C27H25N7O7/c1-14(23(36)31-19-11-22(35)41-26(19)39)34-25(38)20(13-33(2)27(34)40)32-24(37)15-7-9-16(10-8-15)29-21-12-28-17-5-3-4-6-18(17)30-21/h3-10,12-14,19,26,39H,11H2,1-2H3,(H,29,30)(H,31,36)(H,32,37)/t14?,19-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at 20 times Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453034 (CHEMBL4211859) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C33H33N5O7/c1-18(2)37-17-26(29(41)38(32(37)44)33(12-13-33)31(43)36-25-16-27(39)45-30(25)42)35-28(40)24-11-10-22(14-19(24)3)34-23-9-8-20-6-4-5-7-21(20)15-23/h4-11,14-15,17-18,25,30,34,42H,12-13,16H2,1-3H3,(H,35,40)(H,36,43)/t25-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of caspase-1 in human THP1 cells assessed as decrease in LPS-induced IL-1beta secretion after overnight incubation by sandwich immunoassay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453030 (CHEMBL4208166) Show SMILES CC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc(Nc3cnc(C)cn3)cc2)cn(C)c1=O |r| Show InChI InChI=1S/C24H25N7O7/c1-12-9-26-18(10-25-12)27-15-6-4-14(5-7-15)21(34)29-17-11-30(3)24(37)31(22(17)35)13(2)20(33)28-16-8-19(32)38-23(16)36/h4-7,9-11,13,16,23,36H,8H2,1-3H3,(H,26,27)(H,28,33)(H,29,34)/t13?,16-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453053 (CHEMBL4213802) Show SMILES CC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cn(C)c1=O |r| Show InChI InChI=1S/C27H25N7O7/c1-14(23(36)31-19-11-22(35)41-26(19)39)34-25(38)20(13-33(2)27(34)40)32-24(37)15-7-9-16(10-8-15)29-21-12-28-17-5-3-4-6-18(17)30-21/h3-10,12-14,19,26,39H,11H2,1-2H3,(H,29,30)(H,31,36)(H,32,37)/t14?,19-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of caspase-1 in human THP1 cells assessed as decrease in LPS-induced IL-1beta secretion after overnight incubation by sandwich immunoassay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453052 (CHEMBL4203378) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(C(C)C(=O)N[C@H]2CC(=O)OC2O)c1=O |r| Show InChI InChI=1S/C17H24Cl2N2O/c1-20(2)15-6-4-5-7-16(15)21(3)17(22)11-12-8-9-13(18)14(19)10-12/h8-10,15-16H,4-7,11H2,1-3H3/t15-,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	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of caspase-1 in human THP1 cells assessed as decrease in LPS-induced IL-1beta secretion after overnight incubation by sandwich immunoassay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453060 (CHEMBL4203893) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(CC(=O)N[C@H]2CC(=O)OC2O)c1=O |r| Show InChI InChI=1S/C28H27N7O7/c1-15(2)34-13-21(26(39)35(28(34)41)14-23(36)32-20-11-24(37)42-27(20)40)33-25(38)16-7-9-17(10-8-16)30-22-12-29-18-5-3-4-6-19(18)31-22/h3-10,12-13,15,20,27,40H,11,14H2,1-2H3,(H,30,31)(H,32,36)(H,33,38)/t20-,27?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of caspase-1 in human THP1 cells assessed as decrease in LPS-induced IL-1beta secretion after overnight incubation by sandwich immunoassay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453031 (CHEMBL4211143) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(CC(=O)N[C@H]2CC(=O)OC2O)c1=O |r| Show InChI InChI=1S/C31H31N5O7/c1-17(2)35-15-25(29(40)36(31(35)42)16-26(37)33-24-14-27(38)43-30(24)41)34-28(39)23-11-10-21(12-18(23)3)32-22-9-8-19-6-4-5-7-20(19)13-22/h4-13,15,17,24,30,32,41H,14,16H2,1-3H3,(H,33,37)(H,34,39)/t24-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of caspase-1 in human THP1 cells assessed as decrease in LPS-induced IL-1beta secretion after overnight incubation by sandwich immunoassay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453064 (CHEMBL4206773) Show SMILES CCC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)cn(C(C)C)c1=O |r| Show InChI InChI=1S/C33H35N5O7/c1-5-27(30(41)35-25-16-28(39)45-32(25)43)38-31(42)26(17-37(18(2)3)33(38)44)36-29(40)24-13-12-22(14-19(24)4)34-23-11-10-20-8-6-7-9-21(20)15-23/h6-15,17-18,25,27,32,34,43H,5,16H2,1-4H3,(H,35,41)(H,36,40)/t25-,27?,32?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of caspase-1 in human THP1 cells assessed as decrease in LPS-induced IL-1beta secretion after overnight incubation by sandwich immunoassay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453946 (CHEMBL4205336) Show SMILES [H][C@]12CC[C@](O)(CC1)[C@H](N2C(=O)[C@@H](NC(=O)c1ccc2ccccc2c1)C(C)C)C(=O)N[C@H]1CC(=O)OC1O |r,wU:12.29,8.32,wD:4.4,1.0,32.35,(59.86,-12.32,;58.32,-12.32,;57.56,-13.65,;56.02,-13.65,;55.24,-12.32,;53.7,-12.31,;56.6,-12.95,;56.98,-11.71,;56.02,-10.99,;57.56,-10.99,;58.33,-9.66,;57.56,-8.32,;59.87,-9.66,;60.64,-8.32,;62.18,-8.33,;62.95,-9.66,;62.96,-6.99,;62.18,-5.66,;62.95,-4.33,;64.5,-4.33,;65.27,-3,;66.8,-3,;67.57,-4.34,;66.8,-5.67,;65.26,-5.66,;64.5,-7,;60.64,-10.99,;62.18,-10.99,;60.62,-12.54,;55.25,-9.66,;56.02,-8.32,;53.71,-9.66,;52.93,-8.32,;52.97,-6.78,;51.51,-6.27,;51.07,-4.79,;50.58,-7.5,;51.45,-8.77,;50.94,-10.21,)| Show InChI InChI=1S/C28H33N3O7/c1-15(2)22(30-24(33)18-8-7-16-5-3-4-6-17(16)13-18)26(35)31-19-9-11-28(37,12-10-19)23(31)25(34)29-20-14-21(32)38-27(20)36/h3-8,13,15,19-20,22-23,27,36-37H,9-12,14H2,1-2H3,(H,29,34)(H,30,33)/t19-,20-,22-,23+,27?,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Edelris Curated by ChEMBL					Assay Description Inhibition of caspase1 in human THP1 cells assessed as LPS/ATP-induced IL-1beta release preincubated for 24 hrs in presence of LPS measured after ove...				Bioorg Med Chem Lett 27: 5373-5377 (2017) Article DOI: 10.1016/j.bmcl.2017.11.015 BindingDB Entry DOI: 10.7270/Q2377C96
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453028 (CHEMBL4204225) Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1C2CCC(O)(CC2)C1C(=O)N[C@H]1CC(=O)OC1O |r,wU:31.34,wD:3.3,TLB:17:19:22.21:25.26,THB:28:27:22.21:25.26,(22.02,-19.37,;20.71,-18.6,;19.36,-19.36,;20.71,-17.06,;19.38,-16.28,;18.05,-17.04,;18.05,-18.58,;16.72,-16.27,;16.72,-14.72,;15.4,-13.95,;14.07,-14.71,;12.74,-13.94,;11.41,-14.71,;11.41,-16.25,;12.74,-17.02,;14.07,-16.26,;15.4,-17.02,;22.04,-16.3,;22.04,-14.77,;23.37,-17.08,;23.96,-18.5,;22.85,-19.96,;24.34,-19.55,;25.64,-17.84,;26.41,-16.5,;27.34,-18.43,;25.83,-18.96,;24.9,-16.45,;24.9,-14.91,;23.57,-14.14,;26.23,-14.14,;26.2,-12.61,;24.82,-11.85,;25.14,-10.28,;24.02,-9.22,;26.66,-10.09,;27.33,-11.53,;28.81,-11.89,)| Show InChI InChI=1S/C28H33N3O7/c1-15(2)22(30-24(33)18-8-7-16-5-3-4-6-17(16)13-18)26(35)31-19-9-11-28(37,12-10-19)23(31)25(34)29-20-14-21(32)38-27(20)36/h3-8,13,15,19-20,22-23,27,36-37H,9-12,14H2,1-2H3,(H,29,34)(H,30,33)/t19?,20-,22-,23?,27?,28?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at 20 times Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453045 (CHEMBL4215570) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2)c(=O)n(CC(=O)N[C@H]2CC(=O)OC2O)c1=O |r| Show InChI InChI=1S/C30H29N5O7/c1-17(2)34-15-24(28(39)35(30(34)41)16-25(36)32-23-14-26(37)42-29(23)40)33-27(38)19-8-10-21(11-9-19)31-22-12-7-18-5-3-4-6-20(18)13-22/h3-13,15,17,23,29,31,40H,14,16H2,1-2H3,(H,32,36)(H,33,38)/t23-,29?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of caspase-1 in human THP1 cells assessed as decrease in LPS-induced IL-1beta secretion after overnight incubation by sandwich immunoassay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453034 (CHEMBL4211859) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C33H33N5O7/c1-18(2)37-17-26(29(41)38(32(37)44)33(12-13-33)31(43)36-25-16-27(39)45-30(25)42)35-28(40)24-11-10-22(14-19(24)3)34-23-9-8-20-6-4-5-7-21(20)15-23/h4-11,14-15,17-18,25,30,34,42H,12-13,16H2,1-3H3,(H,35,40)(H,36,43)/t25-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of caspase-1 in human monocyte-derived macrophages assessed as decrease in LPS-induced IL-1beta secretion after 24 hrs by sandwich immunoa...				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453061 (CHEMBL4203155) Show SMILES CCC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ncc(Nc3ccc4ccccc4c3)cc2C)cn(C(C)C)c1=O |r| Show InChI InChI=1S/C32H34N6O7/c1-5-25(28(40)35-23-14-26(39)45-31(23)43)38-30(42)24(16-37(17(2)3)32(38)44)36-29(41)27-18(4)12-22(15-33-27)34-21-11-10-19-8-6-7-9-20(19)13-21/h6-13,15-17,23,25,31,34,43H,5,14H2,1-4H3,(H,35,40)(H,36,41)/t23-,25?,31?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of caspase-1 in human THP1 cells assessed as decrease in LPS-induced IL-1beta secretion after overnight incubation by sandwich immunoassay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453062 (CHEMBL4207501) Show SMILES CCC(C(=O)N[C@@H]1CC(O)OC(=O)C1)n1c(=O)c(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)cn(C(C)C)c1=O |r| Show InChI InChI=1S/C34H37N5O7/c1-5-28(32(43)36-25-16-29(40)46-30(41)17-25)39-33(44)27(18-38(19(2)3)34(39)45)37-31(42)26-13-12-23(14-20(26)4)35-24-11-10-21-8-6-7-9-22(21)15-24/h6-15,18-19,25,28-29,35,40H,5,16-17H2,1-4H3,(H,36,43)(H,37,42)/t25-,28?,29?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of caspase-1 in human THP1 cells assessed as decrease in LPS-induced IL-1beta secretion after overnight incubation by sandwich immunoassay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453063 (CHEMBL4216830) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(c1=O)C1(CC1)C(=O)N[C@@H]1CC(O)OC(=O)C1 |r| Show InChI InChI=1S/C34H35N5O7/c1-19(2)38-18-27(31(43)39(33(38)45)34(12-13-34)32(44)36-25-16-28(40)46-29(41)17-25)37-30(42)26-11-10-23(14-20(26)3)35-24-9-8-21-6-4-5-7-22(21)15-24/h4-11,14-15,18-19,25,28,35,40H,12-13,16-17H2,1-3H3,(H,36,44)(H,37,42)/t25-,28?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of caspase-1 in human THP1 cells assessed as decrease in LPS-induced IL-1beta secretion after overnight incubation by sandwich immunoassay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453040 (CHEMBL4218951) Show SMILES CC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc3ccccc3c2)cn(C)c1=O |r| Show InChI InChI=1S/C23H22N4O7/c1-12(19(29)24-16-10-18(28)34-22(16)32)27-21(31)17(11-26(2)23(27)33)25-20(30)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11-12,16,22,32H,10H2,1-2H3,(H,24,29)(H,25,30)/t12?,16-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453027 (CHEMBL4208767) Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)c1ccc(cn1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C25H25N3O5/c1-14(2)22(28-23(30)17-8-7-15-5-3-4-6-16(15)11-17)19-10-9-18(13-26-19)24(31)27-20-12-21(29)33-25(20)32/h3-11,13-14,20,22,25,32H,12H2,1-2H3,(H,27,31)(H,28,30)/t20-,22-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-5 (Homo sapiens (Human))	BDBM50453034 (CHEMBL4211859) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C33H33N5O7/c1-18(2)37-17-26(29(41)38(32(37)44)33(12-13-33)31(43)36-25-16-27(39)45-30(25)42)35-28(40)24-11-10-22(14-19(24)3)34-23-9-8-20-6-4-5-7-21(20)15-23/h4-11,14-15,17-18,25,30,34,42H,12-13,16H2,1-3H3,(H,35,40)(H,36,43)/t25-,30?/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-5 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453054 (CHEMBL4213265) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@H](CCCCO2)NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C26H29N3O7/c30-22-13-20(26(34)36-22)28-24(32)21-12-18-14-29(21)25(33)19(7-3-4-10-35-18)27-23(31)17-9-8-15-5-1-2-6-16(15)11-17/h1-2,5-6,8-9,11,18-21,26,34H,3-4,7,10,12-14H2,(H,27,31)(H,28,32)/t18-,19+,20+,21+,26?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453040 (CHEMBL4218951) Show SMILES CC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc3ccccc3c2)cn(C)c1=O |r| Show InChI InChI=1S/C23H22N4O7/c1-12(19(29)24-16-10-18(28)34-22(16)32)27-21(31)17(11-26(2)23(27)33)25-20(30)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11-12,16,22,32H,10H2,1-2H3,(H,24,29)(H,25,30)/t12?,16-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at 20 times Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM50453034 (CHEMBL4211859) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C33H33N5O7/c1-18(2)37-17-26(29(41)38(32(37)44)33(12-13-33)31(43)36-25-16-27(39)45-30(25)42)35-28(40)24-11-10-22(14-19(24)3)34-23-9-8-20-6-4-5-7-21(20)15-23/h4-11,14-15,17-18,25,30,34,42H,12-13,16H2,1-3H3,(H,35,40)(H,36,43)/t25-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-6 using Ac-VEID-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50453034 (CHEMBL4211859) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C33H33N5O7/c1-18(2)37-17-26(29(41)38(32(37)44)33(12-13-33)31(43)36-25-16-27(39)45-30(25)42)35-28(40)24-11-10-22(14-19(24)3)34-23-9-8-20-6-4-5-7-21(20)15-23/h4-11,14-15,17-18,25,30,34,42H,12-13,16H2,1-3H3,(H,35,40)(H,36,43)/t25-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-7 using Ac-DEVD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50453034 (CHEMBL4211859) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C33H33N5O7/c1-18(2)37-17-26(29(41)38(32(37)44)33(12-13-33)31(43)36-25-16-27(39)45-30(25)42)35-28(40)24-11-10-22(14-19(24)3)34-23-9-8-20-6-4-5-7-21(20)15-23/h4-11,14-15,17-18,25,30,34,42H,12-13,16H2,1-3H3,(H,35,40)(H,36,43)/t25-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-8 using Ac-IETD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50453034 (CHEMBL4211859) Show SMILES CC(C)n1cc(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C33H33N5O7/c1-18(2)37-17-26(29(41)38(32(37)44)33(12-13-33)31(43)36-25-16-27(39)45-30(25)42)35-28(40)24-11-10-22(14-19(24)3)34-23-9-8-20-6-4-5-7-21(20)15-23/h4-11,14-15,17-18,25,30,34,42H,12-13,16H2,1-3H3,(H,35,40)(H,36,43)/t25-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-3 using Ac-DEVD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453043 (CHEMBL4202809) Show SMILES C[C@H](N1C(=O)CCC(NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C23H23N3O7/c1-12(20(29)25-17-11-19(28)33-23(17)32)26-18(27)9-8-16(22(26)31)24-21(30)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16-17,23,32H,8-9,11H2,1H3,(H,24,30)(H,25,29)/t12-,16?,17-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453044 (CHEMBL4214469) Show SMILES C[C@H](N1C(=O)CC(NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C22H21N3O7/c1-11(19(28)24-16-10-18(27)32-22(16)31)25-17(26)9-15(21(25)30)23-20(29)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,11,15-16,22,31H,9-10H2,1H3,(H,23,29)(H,24,28)/t11-,15?,16-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453035 (CHEMBL4215229) Show SMILES CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)C1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C26H31N3O6/c1-15(2)29(28-23(31)18-12-11-16-7-3-4-8-17(16)13-18)25(33)20-10-6-5-9-19(20)24(32)27-21-14-22(30)35-26(21)34/h3-4,7-8,11-13,15,19-21,26,34H,5-6,9-10,14H2,1-2H3,(H,27,32)(H,28,31)/t19-,20?,21+,26?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453054 (CHEMBL4213265) Show SMILES [H][C@@]12C[C@H](N(C1)C(=O)[C@H](CCCCO2)NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C26H29N3O7/c30-22-13-20(26(34)36-22)28-24(32)21-12-18-14-29(21)25(33)19(7-3-4-10-35-18)27-23(31)17-9-8-15-5-1-2-6-16(15)11-17/h1-2,5-6,8-9,11,18-21,26,34H,3-4,7,10,12-14H2,(H,27,31)(H,28,32)/t18-,19+,20+,21+,26?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at 20 times Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453059 (CHEMBL4213490) Show SMILES C[C@H](N1C(=O)NC(NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C21H20N4O7/c1-10(17(27)22-14-9-15(26)32-20(14)30)25-19(29)16(24-21(25)31)23-18(28)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14,16,20,30H,9H2,1H3,(H,22,27)(H,23,28)(H,24,31)/t10-,14-,16?,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at 20 times Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453042 (CHEMBL4215468) Show SMILES CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)C1CNC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C24H28N4O6/c1-13(2)28(27-21(30)16-8-7-14-5-3-4-6-15(14)9-16)23(32)18-12-25-11-17(18)22(31)26-19-10-20(29)34-24(19)33/h3-9,13,17-19,24-25,33H,10-12H2,1-2H3,(H,26,31)(H,27,30)/t17-,18?,19+,24?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453044 (CHEMBL4214469) Show SMILES C[C@H](N1C(=O)CC(NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C22H21N3O7/c1-11(19(28)24-16-10-18(27)32-22(16)31)25-17(26)9-15(21(25)30)23-20(29)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,11,15-16,22,31H,9-10H2,1H3,(H,23,29)(H,24,28)/t11-,15?,16-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at 20 times Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453043 (CHEMBL4202809) Show SMILES C[C@H](N1C(=O)CCC(NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C23H23N3O7/c1-12(20(29)25-17-11-19(28)33-23(17)32)26-18(27)9-8-16(22(26)31)24-21(30)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16-17,23,32H,8-9,11H2,1H3,(H,24,30)(H,25,29)/t12-,16?,17-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at 20 times Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453027 (CHEMBL4208767) Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)c1ccc(cn1)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C25H25N3O5/c1-14(2)22(28-23(30)17-8-7-15-5-3-4-6-16(15)11-17)19-10-9-18(13-26-19)24(31)27-20-12-21(29)33-25(20)32/h3-11,13-14,20,22,25,32H,12H2,1-2H3,(H,27,31)(H,28,30)/t20-,22-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at 20 times Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453042 (CHEMBL4215468) Show SMILES CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)C1CNC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C24H28N4O6/c1-13(2)28(27-21(30)16-8-7-14-5-3-4-6-15(14)9-16)23(32)18-12-25-11-17(18)22(31)26-19-10-20(29)34-24(19)33/h3-9,13,17-19,24-25,33H,10-12H2,1-2H3,(H,26,31)(H,27,30)/t17-,18?,19+,24?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at 20 times Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453041 (CHEMBL4209211) Show SMILES CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)C1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C25H29N3O6/c1-14(2)28(27-22(30)17-11-10-15-6-3-4-7-16(15)12-17)24(32)19-9-5-8-18(19)23(31)26-20-13-21(29)34-25(20)33/h3-4,6-7,10-12,14,18-20,25,33H,5,8-9,13H2,1-2H3,(H,26,31)(H,27,30)/t18-,19?,20+,25?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at 20 times Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453041 (CHEMBL4209211) Show SMILES CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)C1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C25H29N3O6/c1-14(2)28(27-22(30)17-11-10-15-6-3-4-7-16(15)12-17)24(32)19-9-5-8-18(19)23(31)26-20-13-21(29)34-25(20)33/h3-4,6-7,10-12,14,18-20,25,33H,5,8-9,13H2,1-2H3,(H,26,31)(H,27,30)/t18-,19?,20+,25?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50453035 (CHEMBL4215229) Show SMILES CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)C1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C26H31N3O6/c1-15(2)29(28-23(31)18-12-11-16-7-3-4-8-17(16)13-18)25(33)20-10-6-5-9-19(20)24(32)27-21-14-22(30)35-26(21)34/h3-4,7-8,11-13,15,19-21,26,34H,5-6,9-10,14H2,1-2H3,(H,27,32)(H,28,31)/t19-,20?,21+,26?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at 20 times Km after 20 mins by fluorescence assay				J Med Chem 61: 4030-4051 (2018) Article DOI: 10.1021/acs.jmedchem.8b00067 BindingDB Entry DOI: 10.7270/Q2FR006X
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 51 total )  |  Next  |  Last  >>

Jump to: