Compile Data Set for Download or QSAR

Found 97 hits Enz. Inhib. hit(s) with Target = 'Caspase-2'   

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-2 (Homo sapiens (Human))	BDBM50160957 (CHEMBL179503 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...) Show SMILES CCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C27H43N7O6/c1-8-10-11-12-33(7)15-21(35)18(13-23(36)37)29-25(38)20(9-2)34-16-22(27(4,5)6)30-24(26(34)39)28-14-19-17(3)31-40-32-19/h16,18,20H,8-15H2,1-7H3,(H,28,30)(H,29,38)(H,36,37)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against casp-2 in neuronal precursor (NT2) cells				Bioorg Med Chem Lett 15: 1173-80 (2005) Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50160974 (CHEMBL366927 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...) Show SMILES CCCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against casp-2 in neuronal precursor (NT2) cells				Bioorg Med Chem Lett 15: 1173-80 (2005) Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355101 (CHEMBL1835324) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccccc2[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C30H41N5O10/c1-14(2)23(31-16(5)36)27(41)32-19(12-21(37)38)26(40)34-24(15(3)4)29(43)35-11-10-17-8-6-7-9-18(17)25(35)28(42)33-20-13-22(39)45-30(20)44/h6-9,14-15,19-20,23-25,30,44H,10-13H2,1-5H3,(H,31,36)(H,32,41)(H,33,42)(H,34,40)(H,37,38)/t19-,20-,23-,24-,25-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355111 (CHEMBL1835210) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C25H39N5O10/c1-11(2)19(26-13(5)31)23(37)27-14(9-17(32)33)21(35)29-20(12(3)4)24(38)30-8-6-7-16(30)22(36)28-15-10-18(34)40-25(15)39/h11-12,14-16,19-20,25,39H,6-10H2,1-5H3,(H,26,31)(H,27,37)(H,28,36)(H,29,35)(H,32,33)/t14-,15-,16-,19-,20-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355110 (CHEMBL1835208) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C27H45N5O11/c1-12(2)20(28-14(5)33)24(39)29-15(9-18(34)35)22(37)32-21(13(3)4)25(40)31-17(11-42-27(6,7)8)23(38)30-16-10-19(36)43-26(16)41/h12-13,15-17,20-21,26,41H,9-11H2,1-8H3,(H,28,33)(H,29,39)(H,30,38)(H,31,40)(H,32,37)(H,34,35)/t15-,16-,17-,20-,21-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355109 (CHEMBL1835209) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C23H37N5O10/c1-9(2)17(25-12(6)29)22(36)26-13(7-15(30)31)20(34)28-18(10(3)4)21(35)24-11(5)19(33)27-14-8-16(32)38-23(14)37/h9-11,13-14,17-18,23,37H,7-8H2,1-6H3,(H,24,35)(H,25,29)(H,26,36)(H,27,33)(H,28,34)(H,30,31)/t11-,13-,14-,17-,18-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355094 (CHEMBL1835317) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H](CC(C)(C)C)[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C30H49N5O10/c1-14(2)22(31-16(5)36)26(41)32-18(11-20(37)38)25(40)34-23(15(3)4)28(43)35-10-9-17(13-30(6,7)8)24(35)27(42)33-19-12-21(39)45-29(19)44/h14-15,17-19,22-24,29,44H,9-13H2,1-8H3,(H,31,36)(H,32,41)(H,33,42)(H,34,40)(H,37,38)/t17-,18+,19+,22+,23+,24+,29?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355103 (CHEMBL1835399) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(C)ccc2C1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C31H43N5O10/c1-14(2)24(32-17(6)37)28(42)33-20(12-22(38)39)27(41)35-25(15(3)4)30(44)36-10-9-18-11-16(5)7-8-19(18)26(36)29(43)34-21-13-23(40)46-31(21)45/h7-8,11,14-15,20-21,24-26,31,45H,9-10,12-13H2,1-6H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t20-,21-,24-,25-,26?,31?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355102 (CHEMBL1835325) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(C)cc2C1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C31H43N5O10/c1-14(2)24(32-17(6)37)28(42)33-20(12-22(38)39)27(41)35-25(15(3)4)30(44)36-10-9-18-8-7-16(5)11-19(18)26(36)29(43)34-21-13-23(40)46-31(21)45/h7-8,11,14-15,20-21,24-26,31,45H,9-10,12-13H2,1-6H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t20-,21-,24-,25-,26?,31?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355099 (CHEMBL1835322) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C26H41N5O10/c1-12(2)20(27-14(5)32)24(38)28-15(10-18(33)34)22(36)30-21(13(3)4)25(39)31-9-7-6-8-17(31)23(37)29-16-11-19(35)41-26(16)40/h12-13,15-17,20-21,26,40H,6-11H2,1-5H3,(H,27,32)(H,28,38)(H,29,37)(H,30,36)(H,33,34)/t15-,16-,17-,20-,21-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355112 (CHEMBL1835211) Show SMILES CO[C@H]1CCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C |r| Show InChI InChI=1S/C26H41N5O11/c1-11(2)19(27-13(5)32)23(37)28-14(9-17(33)34)22(36)30-20(12(3)4)25(39)31-8-7-16(41-6)21(31)24(38)29-15-10-18(35)42-26(15)40/h11-12,14-16,19-21,26,40H,7-10H2,1-6H3,(H,27,32)(H,28,37)(H,29,38)(H,30,36)(H,33,34)/t14-,15-,16-,19-,20-,21-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355097 (CHEMBL1835320) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@H]1CC(=O)OC1O)C1CCCCC1 |r| Show InChI InChI=1S/C31H49N5O10/c1-15(2)24(32-17(5)37)28(42)33-20(13-22(38)39)27(41)35-25(16(3)4)30(44)36-12-11-19(18-9-7-6-8-10-18)26(36)29(43)34-21-14-23(40)46-31(21)45/h15-16,18-21,24-26,31,45H,6-14H2,1-5H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t19-,20+,21+,24+,25+,26+,31?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355098 (CHEMBL1835321) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2C1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C29H39N5O10/c1-13(2)22(30-15(5)35)26(40)31-18(10-20(36)37)25(39)33-23(14(3)4)28(42)34-12-16-8-6-7-9-17(16)24(34)27(41)32-19-11-21(38)44-29(19)43/h6-9,13-14,18-19,22-24,29,43H,10-12H2,1-5H3,(H,30,35)(H,31,40)(H,32,41)(H,33,39)(H,36,37)/t18-,19-,22-,23-,24?,29?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355107 (CHEMBL1835403) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(Br)ccc2C1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C30H40BrN5O10/c1-13(2)23(32-15(5)37)27(42)33-19(11-21(38)39)26(41)35-24(14(3)4)29(44)36-9-8-16-10-17(31)6-7-18(16)25(36)28(43)34-20-12-22(40)46-30(20)45/h6-7,10,13-14,19-20,23-25,30,45H,8-9,11-12H2,1-5H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t19-,20-,23-,24-,25?,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355093 (CHEMBL1835316) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H](Oc2ncccn2)[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C29H41N7O11/c1-13(2)21(32-15(5)37)25(42)33-16(11-19(38)39)24(41)35-22(14(3)4)27(44)36-10-7-18(46-29-30-8-6-9-31-29)23(36)26(43)34-17-12-20(40)47-28(17)45/h6,8-9,13-14,16-18,21-23,28,45H,7,10-12H2,1-5H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t16-,17-,18-,21-,22-,23-,28?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM10284 (4-Oxo-4-piperidin-1-yl-N-(1,3,4-trioxo-1,2,3,4-tet...) Show SMILES O=C(CCC(=O)N1CCCCC1)Nc1ccc2C(=O)NC(=O)C(=O)c2c1 Show InChI InChI=1S/C18H19N3O5/c22-14(6-7-15(23)21-8-2-1-3-9-21)19-11-4-5-12-13(10-11)16(24)18(26)20-17(12)25/h4-5,10H,1-3,6-9H2,(H,19,22)(H,20,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institutes for Biological Sciences					Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...				J Med Chem 49: 1613-23 (2006) Article DOI: 10.1021/jm050896o BindingDB Entry DOI: 10.7270/Q23N21MB
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM10264 (2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydro...) Show SMILES CC(=O)OC(C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12)c1ccccc1 Show InChI InChI=1S/C19H14N2O6/c1-10(22)27-16(11-6-3-2-4-7-11)19(26)20-13-9-5-8-12-14(13)15(23)18(25)21-17(12)24/h2-9,16H,1H3,(H,20,26)(H,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	233	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institutes for Biological Sciences					Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...				J Med Chem 49: 1613-23 (2006) Article DOI: 10.1021/jm050896o BindingDB Entry DOI: 10.7270/Q23N21MB
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355089 (CHEMBL1835212) Show SMILES CC(C)O[C@H]1CCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C |r| Show InChI InChI=1S/C28H45N5O11/c1-12(2)21(29-15(7)34)25(39)30-16(10-19(35)36)24(38)32-22(13(3)4)27(41)33-9-8-18(43-14(5)6)23(33)26(40)31-17-11-20(37)44-28(17)42/h12-14,16-18,21-23,28,42H,8-11H2,1-7H3,(H,29,34)(H,30,39)(H,31,40)(H,32,38)(H,35,36)/t16-,17-,18-,21-,22-,23-,28?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355090 (CHEMBL1835313) Show SMILES CCC(C)O[C@H]1CCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C |r| Show InChI InChI=1S/C29H47N5O11/c1-8-15(6)44-19-9-10-34(24(19)27(41)32-18-12-21(38)45-29(18)43)28(42)23(14(4)5)33-25(39)17(11-20(36)37)31-26(40)22(13(2)3)30-16(7)35/h13-15,17-19,22-24,29,43H,8-12H2,1-7H3,(H,30,35)(H,31,40)(H,32,41)(H,33,39)(H,36,37)/t15?,17-,18-,19-,22-,23-,24-,29?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	413	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355095 (CHEMBL1835318) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@H]1CC(=O)OC1O)c1ccccc1 |r| Show InChI InChI=1S/C31H43N5O10/c1-15(2)24(32-17(5)37)28(42)33-20(13-22(38)39)27(41)35-25(16(3)4)30(44)36-12-11-19(18-9-7-6-8-10-18)26(36)29(43)34-21-14-23(40)46-31(21)45/h6-10,15-16,19-21,24-26,31,45H,11-14H2,1-5H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t19-,20+,21+,24+,25+,26+,31?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	441	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355091 (CHEMBL1835314) Show SMILES CC(C)CO[C@H]1CCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C |r| Show InChI InChI=1S/C29H47N5O11/c1-13(2)12-44-19-8-9-34(24(19)27(41)32-18-11-21(38)45-29(18)43)28(42)23(15(5)6)33-25(39)17(10-20(36)37)31-26(40)22(14(3)4)30-16(7)35/h13-15,17-19,22-24,29,43H,8-12H2,1-7H3,(H,30,35)(H,31,40)(H,32,41)(H,33,39)(H,36,37)/t17-,18-,19-,22-,23-,24-,29?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	453	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355106 (CHEMBL1835402) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(O)cc2C1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C30H41N5O11/c1-13(2)23(31-15(5)36)27(42)32-19(11-21(38)39)26(41)34-24(14(3)4)29(44)35-9-8-16-6-7-17(37)10-18(16)25(35)28(43)33-20-12-22(40)46-30(20)45/h6-7,10,13-14,19-20,23-25,30,37,45H,8-9,11-12H2,1-5H3,(H,31,36)(H,32,42)(H,33,43)(H,34,41)(H,38,39)/t19-,20-,23-,24-,25?,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	459	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM10278 (3-Chloro-N-(1,2,3,4-tetrahydro-1,3,4-trioxoisoquin...) Show SMILES ClCCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1 Show InChI InChI=1S/C12H9ClN2O4/c13-4-3-9(16)14-6-1-2-7-8(5-6)10(17)12(19)15-11(7)18/h1-2,5H,3-4H2,(H,14,16)(H,15,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institutes for Biological Sciences					Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...				J Med Chem 49: 1613-23 (2006) Article DOI: 10.1021/jm050896o BindingDB Entry DOI: 10.7270/Q23N21MB
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM10287 (Isoquinoline-1,3,4-trione 13f | N-(2-Methoxy-pheny...) Show SMILES COc1ccccc1NC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1 Show InChI InChI=1S/C20H17N3O6/c1-29-15-5-3-2-4-14(15)22-17(25)9-8-16(24)21-11-6-7-12-13(10-11)18(26)20(28)23-19(12)27/h2-7,10H,8-9H2,1H3,(H,21,24)(H,22,25)(H,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	537	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institutes for Biological Sciences					Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...				J Med Chem 49: 1613-23 (2006) Article DOI: 10.1021/jm050896o BindingDB Entry DOI: 10.7270/Q23N21MB
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355108 (CHEMBL1835404) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(Br)cc2C1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C30H40BrN5O10/c1-13(2)23(32-15(5)37)27(42)33-19(11-21(38)39)26(41)35-24(14(3)4)29(44)36-9-8-16-6-7-17(31)10-18(16)25(36)28(43)34-20-12-22(40)46-30(20)45/h6-7,10,13-14,19-20,23-25,30,45H,8-9,11-12H2,1-5H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t19-,20-,23-,24-,25?,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	573	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355111 (CHEMBL1835210) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C25H39N5O10/c1-11(2)19(26-13(5)31)23(37)27-14(9-17(32)33)21(35)29-20(12(3)4)24(38)30-8-6-7-16(30)22(36)28-15-10-18(34)40-25(15)39/h11-12,14-16,19-20,25,39H,6-10H2,1-5H3,(H,26,31)(H,27,37)(H,28,36)(H,29,35)(H,32,33)/t14-,15-,16-,19-,20-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	635	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355092 (CHEMBL1835315) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H](OC2CCCC2)[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C30H47N5O11/c1-14(2)23(31-16(5)36)27(41)32-18(12-21(37)38)26(40)34-24(15(3)4)29(43)35-11-10-20(45-17-8-6-7-9-17)25(35)28(42)33-19-13-22(39)46-30(19)44/h14-15,17-20,23-25,30,44H,6-13H2,1-5H3,(H,31,36)(H,32,41)(H,33,42)(H,34,40)(H,37,38)/t18-,19-,20-,23-,24-,25-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	772	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355098 (CHEMBL1835321) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2C1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C29H39N5O10/c1-13(2)22(30-15(5)35)26(40)31-18(10-20(36)37)25(39)33-23(14(3)4)28(42)34-12-16-8-6-7-9-17(16)24(34)27(41)32-19-11-21(38)44-29(19)43/h6-9,13-14,18-19,22-24,29,43H,10-12H2,1-5H3,(H,30,35)(H,31,40)(H,32,41)(H,33,39)(H,36,37)/t18-,19-,22-,23-,24?,29?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	781	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM10280 (3-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-y...) Show SMILES OC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1 Show InChI InChI=1S/C13H10N2O6/c16-9(3-4-10(17)18)14-6-1-2-7-8(5-6)11(19)13(21)15-12(7)20/h1-2,5H,3-4H2,(H,14,16)(H,17,18)(H,15,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	859	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institutes for Biological Sciences					Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...				J Med Chem 49: 1613-23 (2006) Article DOI: 10.1021/jm050896o BindingDB Entry DOI: 10.7270/Q23N21MB
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355099 (CHEMBL1835322) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C26H41N5O10/c1-12(2)20(27-14(5)32)24(38)28-15(10-18(33)34)22(36)30-21(13(3)4)25(39)31-9-7-6-8-17(31)23(37)29-16-11-19(35)41-26(16)40/h12-13,15-17,20-21,26,40H,6-11H2,1-5H3,(H,27,32)(H,28,38)(H,29,37)(H,30,36)(H,33,34)/t15-,16-,17-,20-,21-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355109 (CHEMBL1835209) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C23H37N5O10/c1-9(2)17(25-12(6)29)22(36)26-13(7-15(30)31)20(34)28-18(10(3)4)21(35)24-11(5)19(33)27-14-8-16(32)38-23(14)37/h9-11,13-14,17-18,23,37H,7-8H2,1-6H3,(H,24,35)(H,25,29)(H,26,36)(H,27,33)(H,28,34)(H,30,31)/t11-,13-,14-,17-,18-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM10247 (1,2,3,4-tetrahydroisoquinoline-1,3,4-trione | Isoq...) Show SMILES O=C1NC(=O)c2ccccc2C1=O Show InChI InChI=1S/C9H5NO3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13/h1-4H,(H,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institutes for Biological Sciences					Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...				J Med Chem 49: 1613-23 (2006) Article DOI: 10.1021/jm050896o BindingDB Entry DOI: 10.7270/Q23N21MB
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355096 (CHEMBL1835319) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@H]1CC(=O)OC1O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C32H45N5O10/c1-15(2)25(33-18(6)38)29(43)34-21(13-23(39)40)28(42)36-26(16(3)4)31(45)37-12-11-20(19-9-7-17(5)8-10-19)27(37)30(44)35-22-14-24(41)47-32(22)46/h7-10,15-16,20-22,25-27,32,46H,11-14H2,1-6H3,(H,33,38)(H,34,43)(H,35,44)(H,36,42)(H,39,40)/t20-,21+,22+,25+,26+,27+,32?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355110 (CHEMBL1835208) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C27H45N5O11/c1-12(2)20(28-14(5)33)24(39)29-15(9-18(34)35)22(37)32-21(13(3)4)25(40)31-17(11-42-27(6,7)8)23(38)30-16-10-19(36)43-26(16)41/h12-13,15-17,20-21,26,41H,9-11H2,1-8H3,(H,28,33)(H,29,39)(H,30,38)(H,31,40)(H,32,37)(H,34,35)/t15-,16-,17-,20-,21-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355112 (CHEMBL1835211) Show SMILES CO[C@H]1CCN([C@@H]1C(=O)N[C@H]1CC(=O)OC1O)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C |r| Show InChI InChI=1S/C26H41N5O11/c1-11(2)19(27-13(5)32)23(37)28-14(9-17(33)34)22(36)30-20(12(3)4)25(39)31-8-7-16(41-6)21(31)24(38)29-15-10-18(35)42-26(15)40/h11-12,14-16,19-21,26,40H,7-10H2,1-6H3,(H,27,32)(H,28,37)(H,29,38)(H,30,36)(H,33,34)/t14-,15-,16-,19-,20-,21-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355105 (CHEMBL1835401) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(O)ccc2C1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C30H41N5O11/c1-13(2)23(31-15(5)36)27(42)32-19(11-21(38)39)26(41)34-24(14(3)4)29(44)35-9-8-16-10-17(37)6-7-18(16)25(35)28(43)33-20-12-22(40)46-30(20)45/h6-7,10,13-14,19-20,23-25,30,37,45H,8-9,11-12H2,1-5H3,(H,31,36)(H,32,42)(H,33,43)(H,34,41)(H,38,39)/t19-,20-,23-,24-,25?,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355104 (CHEMBL1835400) Show SMILES COc1cc2CCN(C(C(=O)N[C@H]3CC(=O)OC3O)c2cc1OC)C(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C |r| Show InChI InChI=1S/C32H45N5O12/c1-14(2)25(33-16(5)38)29(43)34-19(12-23(39)40)28(42)36-26(15(3)4)31(45)37-9-8-17-10-21(47-6)22(48-7)11-18(17)27(37)30(44)35-20-13-24(41)49-32(20)46/h10-11,14-15,19-20,25-27,32,46H,8-9,12-13H2,1-7H3,(H,33,38)(H,34,43)(H,35,44)(H,36,42)(H,39,40)/t19-,20-,25-,26-,27?,32?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355101 (CHEMBL1835324) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccccc2[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C30H41N5O10/c1-14(2)23(31-16(5)36)27(41)32-19(12-21(37)38)26(40)34-24(15(3)4)29(43)35-11-10-17-8-6-7-9-18(17)25(35)28(42)33-20-13-22(39)45-30(20)44/h6-9,14-15,19-20,23-25,30,44H,10-13H2,1-5H3,(H,31,36)(H,32,41)(H,33,42)(H,34,40)(H,37,38)/t19-,20-,23-,24-,25-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355094 (CHEMBL1835317) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H](CC(C)(C)C)[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C30H49N5O10/c1-14(2)22(31-16(5)36)26(41)32-18(11-20(37)38)25(40)34-23(15(3)4)28(43)35-10-9-17(13-30(6,7)8)24(35)27(42)33-19-12-21(39)45-29(19)44/h14-15,17-19,22-24,29,44H,9-13H2,1-8H3,(H,31,36)(H,32,41)(H,33,42)(H,34,40)(H,37,38)/t17-,18+,19+,22+,23+,24+,29?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355108 (CHEMBL1835404) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(Br)cc2C1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C30H40BrN5O10/c1-13(2)23(32-15(5)37)27(42)33-19(11-21(38)39)26(41)35-24(14(3)4)29(44)36-9-8-16-6-7-17(31)10-18(16)25(36)28(43)34-20-12-22(40)46-30(20)45/h6-7,10,13-14,19-20,23-25,30,45H,8-9,11-12H2,1-5H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t19-,20-,23-,24-,25?,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM160786 (US10167313, Compound 53 | US9045524, 53) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C31H38N4O11S/c1-19(2)26(29(41)32-22(16-24(36)37)14-15-47(3,44)45)34-30(42)27(21-12-8-5-9-13-21)35-28(40)23(17-25(38)39)33-31(43)46-18-20-10-6-4-7-11-20/h4-15,19,22-23,26-27H,16-18H2,1-3H3,(H,32,41)(H,33,43)(H,34,42)(H,35,40)(H,36,37)(H,38,39)/b15-14+/t22-,23+,26+,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
NOVAGENESIS FOUNDATION US Patent					Assay Description The inhibition of the activity of Caspase-1 to -10 by four different compounds (#53, #111, #123 & Z-DEVD-FMK used as a prodrug: z-D(OMe)E(OMe)VD(OMe)...				US Patent US9045524 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KX8
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM160849 (US9045524, 123) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O |r| Show InChI InChI=1S/C31H37ClN4O11S/c1-18(2)26(29(42)33-21(15-24(37)38)14-23(32)48(3,45)46)35-30(43)27(20-12-8-5-9-13-20)36-28(41)22(16-25(39)40)34-31(44)47-17-19-10-6-4-7-11-19/h4-14,18,21-22,26-27H,15-17H2,1-3H3,(H,33,42)(H,34,44)(H,35,43)(H,36,41)(H,37,38)(H,39,40)/b23-14+/t21-,22+,26+,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
NOVAGENESIS FOUNDATION US Patent					Assay Description The inhibition of the activity of Caspase-1 to -10 by four different compounds (#53, #111, #123 & Z-DEVD-FMK used as a prodrug: z-D(OMe)E(OMe)VD(OMe)...				US Patent US9045524 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KX8
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM160841 (US9045524, 111) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C36H42N4O11S/c1-22(2)32(35(47)37-26(19-30(41)42)16-17-52(3,49)50)40-34(46)28(18-25-14-9-13-24-12-7-8-15-27(24)25)38-33(45)29(20-31(43)44)39-36(48)51-21-23-10-5-4-6-11-23/h4-17,22,26,28-29,32H,18-21H2,1-3H3,(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,41,42)(H,43,44)/b17-16+/t26-,28+,29+,32+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
NOVAGENESIS FOUNDATION US Patent					Assay Description The inhibition of the activity of Caspase-1 to -10 by four different compounds (#53, #111, #123 & Z-DEVD-FMK used as a prodrug: z-D(OMe)E(OMe)VD(OMe)...				US Patent US9045524 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KX8
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50302107 (CHEMBL567893 | Grassystatin A) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r| Show InChI InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of caspase 2 after 10 to 15 mins by fluorescence assay				J Med Chem 52: 5732-47 (2009) Article DOI: 10.1021/jm9009394 BindingDB Entry DOI: 10.7270/Q2BG2PXP
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355102 (CHEMBL1835325) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(C)cc2C1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C31H43N5O10/c1-14(2)24(32-17(6)37)28(42)33-20(12-22(38)39)27(41)35-25(15(3)4)30(44)36-10-9-18-8-7-16(5)11-19(18)26(36)29(43)34-21-13-23(40)46-31(21)45/h7-8,11,14-15,20-21,24-26,31,45H,9-10,12-13H2,1-6H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t20-,21-,24-,25-,26?,31?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM10295 (4-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquino...) Show SMILES O=C(Nc1ccc2C(=O)C(=O)NC(=O)c2c1)c1ccc(cc1)N(=O)=O Show InChI InChI=1S/C16H9N3O6/c20-13-11-6-3-9(7-12(11)15(22)18-16(13)23)17-14(21)8-1-4-10(5-2-8)19(24)25/h1-7H,(H,17,21)(H,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institutes for Biological Sciences					Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I...				J Med Chem 49: 1613-23 (2006) Article DOI: 10.1021/jm050896o BindingDB Entry DOI: 10.7270/Q23N21MB
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355103 (CHEMBL1835399) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(C)ccc2C1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C31H43N5O10/c1-14(2)24(32-17(6)37)28(42)33-20(12-22(38)39)27(41)35-25(15(3)4)30(44)36-10-9-18-11-16(5)7-8-19(18)26(36)29(43)34-21-13-23(40)46-31(21)45/h7-8,11,14-15,20-21,24-26,31,45H,9-10,12-13H2,1-6H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t20-,21-,24-,25-,26?,31?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM50355107 (CHEMBL1835403) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(Br)ccc2C1C(=O)N[C@H]1CC(=O)OC1O |r| Show InChI InChI=1S/C30H40BrN5O10/c1-13(2)23(32-15(5)37)27(42)33-19(11-21(38)39)26(41)35-24(14(3)4)29(44)36-9-8-16-10-17(31)6-7-18(16)25(36)28(43)34-20-12-22(40)46-30(20)45/h6-7,10,13-14,19-20,23-25,30,45H,8-9,11-12H2,1-5H3,(H,32,37)(H,33,42)(H,34,43)(H,35,41)(H,38,39)/t19-,20-,23-,24-,25?,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHDI Management, Inc. Curated by ChEMBL					Assay Description Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measu...				Bioorg Med Chem 19: 5833-51 (2011) Article DOI: 10.1016/j.bmc.2011.08.020 BindingDB Entry DOI: 10.7270/Q20V8D6X
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Caspase 2				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01063 BindingDB Entry DOI: 10.7270/Q2QJ7MZ9
					More data for this Ligand-Target Pair
Caspase-2 (Homo sapiens (Human))	BDBM480973 (US10906888, Example 190) Show SMILES O=C(N1CCCCC1)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C17H20N6O/c24-15(23-6-2-1-3-7-23)13-8-20-16(21-9-13)22-17(4-5-17)14-10-18-12-19-11-14/h8-12H,1-7H2,(H,20,21,22)	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
TBA					Assay Description Inhibition of caspase-2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair

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