Compile Data Set for Download or QSAR

Found 147 hits Enz. Inhib. hit(s) with all data for entry = 50033156   

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-3 (Homo sapiens (Human))	BDBM10246 ((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10246 ((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Caspase-3 (Homo sapiens (Human))	BDBM50340533 ((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-((pyridin-3-...) Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |r| Show InChI InChI=1S/C27H26FN3O6S/c28-11-14-36-21-7-5-19(6-8-21)17-30-25-10-9-23(15-24(25)26(32)27(30)33)38(34,35)31-13-2-3-20(31)18-37-22-4-1-12-29-16-22/h1,4-10,12,15-16,20H,2-3,11,13-14,17-18H2/t20-/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 PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340530 ((S)-1-(4-methoxybenzyl)-5-(2-((pyridin-3-yloxy)met...) Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)cc1 |r| Show InChI InChI=1S/C25H23N3O6S/c1-33-19-6-4-17(5-7-19)15-27-23-9-8-21(13-22(23)24(29)25(27)30)35(31,32)28-12-10-18(28)16-34-20-3-2-11-26-14-20/h2-9,11,13-14,18H,10,12,15-16H2,1H3/t18-/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 PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340529 ((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-((pyridin-3-...) Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)cc1 |r| Show InChI InChI=1S/C26H24FN3O6S/c27-10-13-35-20-5-3-18(4-6-20)16-29-24-8-7-22(14-23(24)25(31)26(29)32)37(33,34)30-12-9-19(30)17-36-21-2-1-11-28-15-21/h1-8,11,14-15,19H,9-10,12-13,16-17H2/t19-/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 PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340543 ((S)-1-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)me...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)nn1 |r| Show InChI InChI=1S/C23H23FN6O5S/c24-7-10-28-13-16(26-27-28)14-29-21-6-5-19(11-20(21)22(31)23(29)32)36(33,34)30-9-2-3-17(30)15-35-18-4-1-8-25-12-18/h1,4-6,8,11-13,17H,2-3,7,9-10,14-15H2/t17-/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 PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50340547 ((4S,7S,10S,13S)-4-sec-butyl-7-(2-carboxyethyl)-13-...) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H34N4O10/c1-5-10(2)17(22-12(4)28)20(34)24-14(6-7-15(29)30)19(33)25-18(11(3)27)21(35)23-13(9-26)8-16(31)32/h9-11,13-14,17-18,27H,5-8H2,1-4H3,(H,22,28)(H,23,35)(H,24,34)(H,25,33)(H,29,30)(H,31,32)/t10-,11+,13-,14-,17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 8 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340543 ((S)-1-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)me...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)nn1 |r| Show InChI InChI=1S/C23H23FN6O5S/c24-7-10-28-13-16(26-27-28)14-29-21-6-5-19(11-20(21)22(31)23(29)32)36(33,34)30-9-2-3-17(30)15-35-18-4-1-8-25-12-18/h1,4-6,8,11-13,17H,2-3,7,9-10,14-15H2/t17-/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 PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340542 ((S)-1-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)me...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)nn1 |r| Show InChI InChI=1S/C22H21FN6O5S/c23-6-9-27-12-15(25-26-27)13-28-20-4-3-18(10-19(20)21(30)22(28)31)35(32,33)29-8-5-16(29)14-34-17-2-1-7-24-11-17/h1-4,7,10-12,16H,5-6,8-9,13-14H2/t16-/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 PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340537 ((S)-2-(1-(4-methoxybenzyl)-2-oxo-5-(2-((pyridin-3-...) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r| Show InChI InChI=1S/C28H23N5O5S/c1-37-22-6-4-19(5-7-22)17-32-26-9-8-24(13-25(26)27(28(32)34)20(14-29)15-30)39(35,36)33-12-10-21(33)18-38-23-3-2-11-31-16-23/h2-9,11,13,16,21H,10,12,17-18H2,1H3/t21-/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 PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340542 ((S)-1-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)me...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)nn1 |r| Show InChI InChI=1S/C22H21FN6O5S/c23-6-9-27-12-15(25-26-27)13-28-20-4-3-18(10-19(20)21(30)22(28)31)35(32,33)29-8-5-16(29)14-34-17-2-1-7-24-11-17/h1-4,7,10-12,16H,5-6,8-9,13-14H2/t16-/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 PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340536 ((S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-((p...) Show SMILES F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r| Show InChI InChI=1S/C29H24FN5O5S/c30-10-13-39-23-5-3-20(4-6-23)18-34-27-8-7-25(14-26(27)28(29(34)36)21(15-31)16-32)41(37,38)35-12-9-22(35)19-40-24-2-1-11-33-17-24/h1-8,11,14,17,22H,9-10,12-13,18-19H2/t22-/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 PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340540 ((S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-((p...) Show SMILES F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r| Show InChI InChI=1S/C30H26FN5O5S/c31-11-14-40-24-7-5-21(6-8-24)19-35-28-10-9-26(15-27(28)29(30(35)37)22(16-32)17-33)42(38,39)36-13-2-3-23(36)20-41-25-4-1-12-34-18-25/h1,4-10,12,15,18,23H,2-3,11,13-14,19-20H2/t23-/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 PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM50340548 ((4S,7S,10S,13S)-10-sec-butyl-7-(2-carboxyethyl)-13...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H36N4O9/c1-6-12(4)19(22(35)24-14(10-27)9-17(31)32)26-20(33)15(7-8-16(29)30)25-21(34)18(11(2)3)23-13(5)28/h10-12,14-15,18-19H,6-9H2,1-5H3,(H,23,28)(H,24,35)(H,25,34)(H,26,33)(H,29,30)(H,31,32)/t12-,14-,15-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 6 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM10355 ((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 |r| Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 1 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340526 ((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...) Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r| Show InChI InChI=1S/C27H25FN2O6S/c28-13-15-35-22-8-6-19(7-9-22)17-29-25-11-10-23(16-24(25)26(31)27(29)32)37(33,34)30-14-12-20(30)18-36-21-4-2-1-3-5-21/h1-11,16,20H,12-15,17-18H2/t20-/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 PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340530 ((S)-1-(4-methoxybenzyl)-5-(2-((pyridin-3-yloxy)met...) Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)cc1 |r| Show InChI InChI=1S/C25H23N3O6S/c1-33-19-6-4-17(5-7-19)15-27-23-9-8-21(13-22(23)24(29)25(27)30)35(31,32)28-12-10-18(28)16-34-20-3-2-11-26-14-20/h2-9,11,13-14,18H,10,12,15-16H2,1H3/t18-/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 PubMed	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50273338 ((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)nn1 |r| Show InChI InChI=1S/C24H22F3N5O5S/c25-7-9-30-12-16(28-29-30)13-31-21-5-4-18(11-19(21)23(33)24(31)34)38(35,36)32-8-1-2-17(32)14-37-22-6-3-15(26)10-20(22)27/h3-6,10-12,17H,1-2,7-9,13-14H2/t17-/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 PubMed	n/a	n/a	10.8	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340531 ((S)-1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-5-(2-(p...) Show SMILES FCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r| Show InChI InChI=1S/C30H31FN2O7S/c31-14-16-38-17-18-39-25-10-8-22(9-11-25)20-32-28-13-12-26(19-27(28)29(34)30(32)35)41(36,37)33-15-4-5-23(33)21-40-24-6-2-1-3-7-24/h1-3,6-13,19,23H,4-5,14-18,20-21H2/t23-/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 PubMed	n/a	n/a	10.9	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340541 ((S)-1-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)me...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)nn1 |r| Show InChI InChI=1S/C23H22FN5O5S/c24-9-11-27-13-16(25-26-27)14-28-21-7-6-19(12-20(21)22(30)23(28)31)35(32,33)29-10-8-17(29)15-34-18-4-2-1-3-5-18/h1-7,12-13,17H,8-11,14-15H2/t17-/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 PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340533 ((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-((pyridin-3-...) Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |r| Show InChI InChI=1S/C27H26FN3O6S/c28-11-14-36-21-7-5-19(6-8-21)17-30-25-10-9-23(15-24(25)26(32)27(30)33)38(34,35)31-13-2-3-20(31)18-37-22-4-1-12-29-16-22/h1,4-10,12,15-16,20H,2-3,11,13-14,17-18H2/t20-/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 PubMed	n/a	n/a	11.3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50273338 ((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)nn1 |r| Show InChI InChI=1S/C24H22F3N5O5S/c25-7-9-30-12-16(28-29-30)13-31-21-5-4-18(11-19(21)23(33)24(31)34)38(35,36)32-8-1-2-17(32)14-37-22-6-3-15(26)10-20(22)27/h3-6,10-12,17H,1-2,7-9,13-14H2/t17-/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 PubMed	n/a	n/a	11.6	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340531 ((S)-1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-5-(2-(p...) Show SMILES FCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r| Show InChI InChI=1S/C30H31FN2O7S/c31-14-16-38-17-18-39-25-10-8-22(9-11-25)20-32-28-13-12-26(19-27(28)29(34)30(32)35)41(36,37)33-15-4-5-23(33)21-40-24-6-2-1-3-7-24/h1-3,6-13,19,23H,4-5,14-18,20-21H2/t23-/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 PubMed	n/a	n/a	11.9	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340544 ((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...) Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O6S/c28-10-12-37-20-4-1-17(2-5-20)15-31-24-7-6-21(14-22(24)26(33)27(31)34)39(35,36)32-11-9-19(32)16-38-25-8-3-18(29)13-23(25)30/h1-8,13-14,19H,9-12,15-16H2/t19-/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 PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50273337 ((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)nn1 |r| Show InChI InChI=1S/C24H24FN5O5S/c25-10-12-28-14-17(26-27-28)15-29-22-9-8-20(13-21(22)23(31)24(29)32)36(33,34)30-11-4-5-18(30)16-35-19-6-2-1-3-7-19/h1-3,6-9,13-14,18H,4-5,10-12,15-16H2/t18-/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 PubMed	n/a	n/a	12.2	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340545 ((S)-5-(2-((2,4-difluorophenoxy)methyl)pyrrolidin-1...) Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)cc1 |r| Show InChI InChI=1S/C28H25F3N2O6S/c29-11-13-38-21-6-3-18(4-7-21)16-32-25-9-8-22(15-23(25)27(34)28(32)35)40(36,37)33-12-1-2-20(33)17-39-26-10-5-19(30)14-24(26)31/h3-10,14-15,20H,1-2,11-13,16-17H2/t20-/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 PubMed	n/a	n/a	12.3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50273337 ((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)nn1 |r| Show InChI InChI=1S/C24H24FN5O5S/c25-10-12-28-14-17(26-27-28)15-29-22-9-8-20(13-21(22)23(31)24(29)32)36(33,34)30-11-4-5-18(30)16-35-19-6-2-1-3-7-19/h1-3,6-9,13-14,18H,4-5,10-12,15-16H2/t18-/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 PubMed	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340546 ((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)nn1 |r| Show InChI InChI=1S/C23H20F3N5O5S/c24-6-8-29-11-15(27-28-29)12-30-20-3-2-17(10-18(20)22(32)23(30)33)37(34,35)31-7-5-16(31)13-36-21-4-1-14(25)9-19(21)26/h1-4,9-11,16H,5-8,12-13H2/t16-/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 PubMed	n/a	n/a	13.4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340532 ((S)-1-(4-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)benzy...) Show SMILES FCCOCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r| Show InChI InChI=1S/C32H35FN2O8S/c33-14-16-40-17-18-41-19-20-42-27-10-8-24(9-11-27)22-34-30-13-12-28(21-29(30)31(36)32(34)37)44(38,39)35-15-4-5-25(35)23-43-26-6-2-1-3-7-26/h1-3,6-13,21,25H,4-5,14-20,22-23H2/t25-/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 PubMed	n/a	n/a	13.7	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340545 ((S)-5-(2-((2,4-difluorophenoxy)methyl)pyrrolidin-1...) Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)cc1 |r| Show InChI InChI=1S/C28H25F3N2O6S/c29-11-13-38-21-6-3-18(4-7-21)16-32-25-9-8-22(15-23(25)27(34)28(32)35)40(36,37)33-12-1-2-20(33)17-39-26-10-5-19(30)14-24(26)31/h3-10,14-15,20H,1-2,11-13,16-17H2/t20-/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 PubMed	n/a	n/a	15.2	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340546 ((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)nn1 |r| Show InChI InChI=1S/C23H20F3N5O5S/c24-6-8-29-11-15(27-28-29)12-30-20-3-2-17(10-18(20)22(32)23(30)33)37(34,35)31-7-5-16(31)13-36-21-4-1-14(25)9-19(21)26/h1-4,9-11,16H,5-8,12-13H2/t16-/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 PubMed	n/a	n/a	15.3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340544 ((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...) Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O6S/c28-10-12-37-20-4-1-17(2-5-20)15-31-24-7-6-21(14-22(24)26(33)27(31)34)39(35,36)32-11-9-19(32)16-38-25-8-3-18(29)13-23(25)30/h1-8,13-14,19H,9-12,15-16H2/t19-/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 PubMed	n/a	n/a	15.4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340529 ((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-((pyridin-3-...) Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)cc1 |r| Show InChI InChI=1S/C26H24FN3O6S/c27-10-13-35-20-5-3-18(4-6-20)16-29-24-8-7-22(14-23(24)25(31)26(29)32)37(33,34)30-12-9-19(30)17-36-21-2-1-11-28-15-21/h1-8,11,14-15,19H,9-10,12-13,16-17H2/t19-/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 PubMed	n/a	n/a	17.6	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340532 ((S)-1-(4-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)benzy...) Show SMILES FCCOCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r| Show InChI InChI=1S/C32H35FN2O8S/c33-14-16-40-17-18-41-19-20-42-27-10-8-24(9-11-27)22-34-30-13-12-28(21-29(30)31(36)32(34)37)44(38,39)35-15-4-5-25(35)23-43-26-6-2-1-3-7-26/h1-3,6-13,21,25H,4-5,14-20,22-23H2/t25-/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 PubMed	n/a	n/a	17.6	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340541 ((S)-1-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)me...) Show SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)nn1 |r| Show InChI InChI=1S/C23H22FN5O5S/c24-9-11-27-13-16(25-26-27)14-28-21-7-6-19(12-20(21)22(30)23(28)31)35(32,33)29-10-8-17(29)15-34-18-4-2-1-3-5-18/h1-7,12-13,17H,8-11,14-15H2/t17-/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 PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340538 ((S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-(ph...) Show SMILES F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r| Show InChI InChI=1S/C31H27FN4O5S/c32-14-16-40-26-10-8-22(9-11-26)20-35-29-13-12-27(17-28(29)30(31(35)37)23(18-33)19-34)42(38,39)36-15-4-5-24(36)21-41-25-6-2-1-3-7-25/h1-3,6-13,17,24H,4-5,14-16,20-21H2/t24-/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 PubMed	n/a	n/a	18.3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340528 ((S)-1-(4-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)benzy...) Show SMILES FCCOCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r| Show InChI InChI=1S/C31H33FN2O8S/c32-13-15-39-16-17-40-18-19-41-26-8-6-23(7-9-26)21-33-29-11-10-27(20-28(29)30(35)31(33)36)43(37,38)34-14-12-24(34)22-42-25-4-2-1-3-5-25/h1-11,20,24H,12-19,21-22H2/t24-/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 PubMed	n/a	n/a	19.2	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340534 ((S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-(ph...) Show SMILES F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r| Show InChI InChI=1S/C30H25FN4O5S/c31-13-15-39-25-8-6-21(7-9-25)19-34-28-11-10-26(16-27(28)29(30(34)36)22(17-32)18-33)41(37,38)35-14-12-23(35)20-40-24-4-2-1-3-5-24/h1-11,16,23H,12-15,19-20H2/t23-/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 PubMed	n/a	n/a	22.4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340539 ((S)-2-(1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-2-ox...) Show SMILES F[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r| Show InChI InChI=1S/C33H31FN4O6S/c34-14-16-42-17-18-43-28-10-8-24(9-11-28)22-37-31-13-12-29(19-30(31)32(33(37)39)25(20-35)21-36)45(40,41)38-15-4-5-26(38)23-44-27-6-2-1-3-7-27/h1-3,6-13,19,26H,4-5,14-18,22-23H2/t26-/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 PubMed	n/a	n/a	23.3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340535 ((S)-2-(1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-2-ox...) Show SMILES F[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r| Show InChI InChI=1S/C32H29FN4O6S/c33-13-15-41-16-17-42-27-8-6-23(7-9-27)21-36-30-11-10-28(18-29(30)31(32(36)38)24(19-34)20-35)44(39,40)37-14-12-25(37)22-43-26-4-2-1-3-5-26/h1-11,18,25H,12-17,21-22H2/t25-/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 PubMed	n/a	n/a	24.4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340526 ((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...) Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r| Show InChI InChI=1S/C27H25FN2O6S/c28-13-15-35-22-8-6-19(7-9-22)17-29-25-11-10-23(16-24(25)26(31)27(29)32)37(33,34)30-14-12-20(30)18-36-21-4-2-1-3-5-21/h1-11,16,20H,12-15,17-18H2/t20-/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 PubMed	n/a	n/a	26.1	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340540 ((S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-((p...) Show SMILES F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r| Show InChI InChI=1S/C30H26FN5O5S/c31-11-14-40-24-7-5-21(6-8-24)19-35-28-10-9-26(15-27(28)29(30(35)37)22(16-32)17-33)42(38,39)36-13-2-3-23(36)20-41-25-4-1-12-34-18-25/h1,4-10,12,15,18,23H,2-3,11,13-14,19-20H2/t23-/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 PubMed	n/a	n/a	26.5	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340528 ((S)-1-(4-(2-(2-(2-fluoroethoxy)ethoxy)ethoxy)benzy...) Show SMILES FCCOCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r| Show InChI InChI=1S/C31H33FN2O8S/c32-13-15-39-16-17-40-18-19-41-26-8-6-23(7-9-26)21-33-29-11-10-27(20-28(29)30(35)31(33)36)43(37,38)34-14-12-24(34)22-42-25-4-2-1-3-5-25/h1-11,20,24H,12-19,21-22H2/t24-/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 PubMed	n/a	n/a	26.9	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50340527 ((S)-1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-5-(2-(p...) Show SMILES FCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r| Show InChI InChI=1S/C29H29FN2O7S/c30-13-15-37-16-17-38-24-8-6-21(7-9-24)19-31-27-11-10-25(18-26(27)28(33)29(31)34)40(35,36)32-14-12-22(32)20-39-23-4-2-1-3-5-23/h1-11,18,22H,12-17,19-20H2/t22-/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 PubMed	n/a	n/a	27.9	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human caspase 3 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340527 ((S)-1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-5-(2-(p...) Show SMILES FCCOCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r| Show InChI InChI=1S/C29H29FN2O7S/c30-13-15-37-16-17-38-24-8-6-21(7-9-24)19-31-27-11-10-25(18-26(27)28(33)29(31)34)40(35,36)32-14-12-22(32)20-39-23-4-2-1-3-5-23/h1-11,18,22H,12-17,19-20H2/t22-/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 PubMed	n/a	n/a	28.9	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340536 ((S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-((p...) Show SMILES F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r| Show InChI InChI=1S/C29H24FN5O5S/c30-10-13-39-23-5-3-20(4-6-23)18-34-27-8-7-25(14-26(27)28(29(34)36)21(15-31)16-32)41(37,38)35-12-9-22(35)19-40-24-2-1-11-33-17-24/h1-8,11,14,17,22H,9-10,12-13,18-19H2/t22-/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 PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340537 ((S)-2-(1-(4-methoxybenzyl)-2-oxo-5-(2-((pyridin-3-...) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r| Show InChI InChI=1S/C28H23N5O5S/c1-37-22-6-4-19(5-7-22)17-32-26-9-8-24(13-25(26)27(28(32)34)20(14-29)15-30)39(35,36)33-12-10-21(33)18-38-23-3-2-11-31-16-23/h2-9,11,13,16,21H,10,12,17-18H2,1H3/t21-/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 PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340535 ((S)-2-(1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-2-ox...) Show SMILES F[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r| Show InChI InChI=1S/C32H29FN4O6S/c33-13-15-41-16-17-42-27-8-6-23(7-9-27)21-36-30-11-10-28(18-29(30)31(32(36)38)24(19-34)20-35)44(39,40)37-14-12-25(37)22-43-26-4-2-1-3-5-26/h1-11,18,25H,12-17,21-22H2/t25-/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 PubMed	n/a	n/a	68.3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340539 ((S)-2-(1-(4-(2-(2-fluoroethoxy)ethoxy)benzyl)-2-ox...) Show SMILES F[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r| Show InChI InChI=1S/C33H31FN4O6S/c34-14-16-42-17-18-43-28-10-8-24(9-11-28)22-37-31-13-12-29(19-30(31)32(33(37)39)25(20-35)21-36)45(40,41)38-15-4-5-26(38)23-44-27-6-2-1-3-7-27/h1-3,6-13,19,26H,4-5,14-18,22-23H2/t26-/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 PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50340538 ((S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-(ph...) Show SMILES F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r| Show InChI InChI=1S/C31H27FN4O5S/c32-14-16-40-26-10-8-22(9-11-26)20-35-29-13-12-27(17-28(29)30(31(35)37)23(18-33)19-34)42(38,39)36-15-4-5-24(36)21-41-25-6-2-1-3-7-25/h1-3,6-13,17,24H,4-5,14-16,20-21H2/t24-/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 PubMed	n/a	n/a	96.3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of caspase 7 by fluorometric assay				Bioorg Med Chem Lett 21: 2192-7 (2011) Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G
					More data for this Ligand-Target Pair

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