Compile Data Set for Download or QSAR

Found 61 hits of Enz. Inhib. data with enzyme = 'Caspase-7' and Substrate = 'to-be-curated'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-7 (Homo sapiens (Human))	BDBM160792 (US10167313, Compound 59 | US9045524, 59) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)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/C28H38N4O13S/c1-16(2)24(27(41)29-18(13-22(35)36)11-12-46(3,43)44)32-25(39)19(9-10-21(33)34)30-26(40)20(14-23(37)38)31-28(42)45-15-17-7-5-4-6-8-17/h4-8,11-12,16,18-20,24H,9-10,13-15H2,1-3H3,(H,29,41)(H,30,40)(H,31,42)(H,32,39)(H,33,34)(H,35,36)(H,37,38)/b12-11+/t18-,19+,20+,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160790 (US10167313, Compound 57 | US9045524, 57) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C34H42N4O11S/c1-20(2)29(32(44)35-25(17-27(39)40)13-14-50(3,47)48)37-33(45)30(24-15-22-11-7-8-12-23(22)16-24)38-31(43)26(18-28(41)42)36-34(46)49-19-21-9-5-4-6-10-21/h4-14,20,24-26,29-30H,15-19H2,1-3H3,(H,35,44)(H,36,46)(H,37,45)(H,38,43)(H,39,40)(H,41,42)/b14-13+/t25-,26+,29+,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160781 (US10167313, Compound 48 | US9045524, 48) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O |r| Show InChI InChI=1S/C35H40ClN5O11S/c1-20(2)31(34(48)38-24(17-29(42)43)16-28(36)53(3,50)51)41-33(47)26(15-23-14-13-22-11-7-8-12-25(22)37-23)39-32(46)27(18-30(44)45)40-35(49)52-19-21-9-5-4-6-10-21/h4-14,16,20,24,26-27,31H,15,17-19H2,1-3H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b28-16+/t24-,26+,27+,31+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160781 (US10167313, Compound 48 | US9045524, 48) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O |r| Show InChI InChI=1S/C35H40ClN5O11S/c1-20(2)31(34(48)38-24(17-29(42)43)16-28(36)53(3,50)51)41-33(47)26(15-23-14-13-22-11-7-8-12-25(22)37-23)39-32(46)27(18-30(44)45)40-35(49)52-19-21-9-5-4-6-10-21/h4-14,16,20,24,26-27,31H,15,17-19H2,1-3H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b28-16+/t24-,26+,27+,31+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160798 (US10167313, Compound 65 | US9045524, 65) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C40H43N5O12S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-58(54,55)57-30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32+,33+,36+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160808 (US10167313, Compound 76 | US9045524, 76) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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/C32H40N4O12S/c1-19(2)28(31(44)33-22(16-26(38)39)13-14-49(3,46)47)36-30(43)24(15-20-9-11-23(37)12-10-20)34-29(42)25(17-27(40)41)35-32(45)48-18-21-7-5-4-6-8-21/h4-14,19,22,24-25,28,37H,15-18H2,1-3H3,(H,33,44)(H,34,42)(H,35,45)(H,36,43)(H,38,39)(H,40,41)/b14-13+/t22-,24+,25+,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (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 DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160816 (US10167313, Compound 85 | US9045524, 85) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C36H41N5O11S/c1-23(2)32(35(48)38-26(20-30(42)43)16-18-53(50,51)27-14-7-4-8-15-27)41-34(47)28(19-25-13-9-10-17-37-25)39-33(46)29(21-31(44)45)40-36(49)52-22-24-11-5-3-6-12-24/h3-18,23,26,28-29,32H,19-22H2,1-2H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b18-16+/t26-,28+,29+,32+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160781 (US10167313, Compound 48 | US9045524, 48) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O |r| Show InChI InChI=1S/C35H40ClN5O11S/c1-20(2)31(34(48)38-24(17-29(42)43)16-28(36)53(3,50)51)41-33(47)26(15-23-14-13-22-11-7-8-12-25(22)37-23)39-32(46)27(18-30(44)45)40-35(49)52-19-21-9-5-4-6-10-21/h4-14,16,20,24,26-27,31H,15,17-19H2,1-3H3,(H,38,48)(H,39,46)(H,40,49)(H,41,47)(H,42,43)(H,44,45)/b28-16+/t24-,26+,27+,31+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160819 (US10167313, Compound 88 | US9045524, 88) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160788 (US10167313, Compound 55 | US9045524, 55) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)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/C35H41N5O11S/c1-21(2)31(34(47)37-25(18-29(41)42)15-16-52(3,49)50)40-33(46)27(17-24-14-13-23-11-7-8-12-26(23)36-24)38-32(45)28(19-30(43)44)39-35(48)51-20-22-9-5-4-6-10-22/h4-16,21,25,27-28,31H,17-20H2,1-3H3,(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,41,42)(H,43,44)/b16-15+/t25-,27+,28+,31+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160801 (US10167313, Compound 68 | US9045524, 68) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)C(C)C |r| Show InChI InChI=1S/C36H46N4O11S/c1-21(2)31(34(46)37-27(18-29(41)42)14-15-52(49,50)22(3)4)39-35(47)32(26-16-24-12-8-9-13-25(24)17-26)40-33(45)28(19-30(43)44)38-36(48)51-20-23-10-6-5-7-11-23/h5-15,21-22,26-28,31-32H,16-20H2,1-4H3,(H,37,46)(H,38,48)(H,39,47)(H,40,45)(H,41,42)(H,43,44)/b15-14+/t27-,28+,31+,32+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160796 (US10167313, Compound 63 | US9045524, 63) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C40H43N5O11S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-57(54,55)30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32+,33+,36+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160784 (US10167313, Compound 51 | US9045524, 51) Show SMILES COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(C)C)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C36H46N4O11S/c1-22(2)31(34(44)37-27(19-29(41)49-3)15-16-52(5,47)48)39-35(45)32(26-17-24-13-9-10-14-25(24)18-26)40-33(43)28(20-30(42)50-4)38-36(46)51-21-23-11-7-6-8-12-23/h6-16,22,26-28,31-32H,17-21H2,1-5H3,(H,37,44)(H,38,46)(H,39,45)(H,40,43)/b16-15+/t27-,28+,31+,32+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160794 (US10167313, Compound 61 | US9045524, 61) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C19H26N2O7S/c1-13(2)17(21-19(25)28-12-14-7-5-4-6-8-14)18(24)20-15(11-16(22)23)9-10-29(3,26)27/h4-10,13,15,17H,11-12H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/b10-9+/t15-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160813 (US10167313, Compound 82 | US9045524, 82) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C33H42N4O12S/c1-20(2)29(32(45)34-23(18-28(41)42)15-16-50(3,47)48)37-30(43)25(13-14-27(39)40)35-31(44)26(17-21-9-11-24(38)12-10-21)36-33(46)49-19-22-7-5-4-6-8-22/h4-12,15-16,20,23,25-26,29,38H,13-14,17-19H2,1-3H3,(H,34,45)(H,35,44)(H,36,46)(H,37,43)(H,39,40)(H,41,42)/b16-15+/t23-,25+,26+,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM314073 (US10167313, Compound 71 | Z-Asp-(D,L Ala(2'-quinol...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2n1)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/C35H41N5O11S/c1-21(2)31(34(47)37-25(18-29(41)42)15-16-52(3,49)50)40-33(46)27(17-24-14-13-23-11-7-8-12-26(23)36-24)38-32(45)28(19-30(43)44)39-35(48)51-20-22-9-5-4-6-10-22/h4-16,21,25,27-28,31H,17-20H2,1-3H3,(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,41,42)(H,43,44)/b16-15+/t25-,27-,28+,31+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM314076 (US10167313, Compound 70 | Z-Asp-(D,L Ala(2'-quinol...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C40H43N5O11S/c1-25(2)36(39(52)42-29(22-34(46)47)19-20-57(54,55)30-14-7-4-8-15-30)45-38(51)32(21-28-18-17-27-13-9-10-16-31(27)41-28)43-37(50)33(23-35(48)49)44-40(53)56-24-26-11-5-3-6-12-26/h3-20,25,29,32-33,36H,21-24H2,1-2H3,(H,42,52)(H,43,50)(H,44,53)(H,45,51)(H,46,47)(H,48,49)/b20-19+/t29-,32-,33+,36+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM160827 (US10167313, Compound 96 | US9045524, 96) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C36H42N4O10S/c1-23(2)32(35(46)37-24(3)33(44)38-27(21-31(42)43)18-19-51(48,49)29-12-8-5-9-13-29)40-34(45)30(20-25-14-16-28(41)17-15-25)39-36(47)50-22-26-10-6-4-7-11-26/h4-19,23-24,27,30,32,41H,20-22H2,1-3H3,(H,37,46)(H,38,44)(H,39,47)(H,40,45)(H,42,43)/b19-18+/t24-,27+,30-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genesis Technologies Limited US Patent					Assay Description Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspas...				US Patent US10167313 (2019) BindingDB Entry DOI: 10.7270/Q2Q81G59
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM47551 (1-[(5S)-5-bicyclo[2.2.1]hept-2-enyl]-3-[[(E)-(3,5-...) Show SMILES [H]C12C[C@H](NC(=S)NN=Cc3cc(Br)cc(Br)c3O)C([H])(C1)C=C2 |w:8.7,c:24,THB:4:3:21:22.23| Show InChI InChI=1S/C15H15Br2N3OS/c16-11-5-10(14(21)12(17)6-11)7-18-20-15(22)19-13-4-8-1-2-9(13)3-8/h1-2,5-9,13,21H,3-4H2,(H2,19,20,22)/t8?,9?,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM65559 (2-(5-bromo-2-furyl)-4-oxo-4H-chromen-3-yl acetate ...) Show SMILES CC(=O)Oc1c(oc2ccccc2c1=O)-c1ccc(Br)o1 Show InChI InChI=1S/C15H9BrO5/c1-8(17)19-15-13(18)9-4-2-3-5-10(9)21-14(15)11-6-7-12(16)20-11/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM53108 (2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylamino]...) Show SMILES COC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12 Show InChI InChI=1S/C18H15NO6/c1-24-18(23)11-4-2-3-5-13(11)19-9-10-6-17(22)25-16-8-15(21)14(20)7-12(10)16/h2-8,19-21H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.52E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM77508 (MLS001140535 | SMR000650575 | cid_4907739) Show SMILES CC1(C)Cc2c(CO1)c(nc1sc(C(=O)Nc3ccccc3)c(N)c21)N1CCCC1 Show InChI InChI=1S/C23H26N4O2S/c1-23(2)12-15-16(13-29-23)20(27-10-6-7-11-27)26-22-17(15)18(24)19(30-22)21(28)25-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13,24H2,1-2H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM77509 (2-[2-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophe...) Show SMILES COc1ccc(cc1)-c1sc2ccc(OC)cc2c1C#Cc1ccccn1 Show InChI InChI=1S/C23H17NO2S/c1-25-18-9-6-16(7-10-18)23-20(12-8-17-5-3-4-14-24-17)21-15-19(26-2)11-13-22(21)27-23/h3-7,9-11,13-15H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>8.52E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM79428 (2-(1,3-benzodioxol-5-yl)-3-hydroxy-1-benzopyran-4-...) Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccc2OCOc2c1 Show InChI InChI=1S/C16H10O5/c17-14-10-3-1-2-4-11(10)21-16(15(14)18)9-5-6-12-13(7-9)20-8-19-12/h1-7,18H,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM79429 ((2-oxidanylideneoxolan-3-yl) 2-(3,4-dimethoxypheny...) Show SMILES COc1ccc(cc1OC)-c1cc(C(=O)OC2CCOC2=O)c2ccccc2n1 Show InChI InChI=1S/C22H19NO6/c1-26-18-8-7-13(11-20(18)27-2)17-12-15(14-5-3-4-6-16(14)23-17)21(24)29-19-9-10-28-22(19)25/h3-8,11-12,19H,9-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM79430 (3-[2-[4-(dimethylamino)phenyl]-2-keto-ethyl]-6,7-d...) Show SMILES COc1ccc2C(CC(=O)c3ccc(cc3)N(C)C)OC(=O)c2c1OC Show InChI InChI=1S/C20H21NO5/c1-21(2)13-7-5-12(6-8-13)15(22)11-17-14-9-10-16(24-3)19(25-4)18(14)20(23)26-17/h5-10,17H,11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM79431 (MLS000519824 | SMR000130242 | [4-(4-fluorophenyl)-...) Show SMILES COc1ccc(Nc2ncc(C(=O)N3CCN(CC3)c3ccc(F)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C27H25FN4O2/c1-34-22-12-8-20(9-13-22)30-26-24-5-3-2-4-23(24)25(18-29-26)27(33)32-16-14-31(15-17-32)21-10-6-19(28)7-11-21/h2-13,18H,14-17H2,1H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>8.52E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM79432 (1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-(prop-2...) Show SMILES Oc1c(Cl)c(N=CC=C)c(O)n1-c1cccc(Cl)c1Cl |w:5.4,(3.08,-1.1,;4.54,-.62,;5.02,.84,;4.12,2.09,;6.56,.84,;7.47,2.09,;6.84,3.49,;7.74,4.74,;7.12,6.15,;7.04,-.62,;8.5,-1.1,;5.79,-1.53,;5.79,-3.07,;7.12,-3.84,;7.12,-5.38,;5.79,-6.15,;4.46,-5.38,;3.12,-6.15,;4.46,-3.84,;3.12,-3.07,)| Show InChI InChI=1S/C13H9Cl3N2O2/c1-2-6-17-11-10(16)12(19)18(13(11)20)8-5-3-4-7(14)9(8)15/h2-6,19-20H,1H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM79433 (MLS000556848 | SMR000147965 | cid_4678256) Show SMILES [H]C12C=CC([H])(C3CC13)C1C2C(=O)N(C2CCC(CC2)C(=O)Nc2ccc(Cc3ccncc3)cc2)C1=O |c:2,TLB:11:10:8.6:2.3,7:6:9.10:2.3,THB:7:8:9.10:2.3,36:9:8.6:2.3,(8.4,5.42,;7.69,4.79,;7.12,6.87,;5.78,6.1,;7.29,3.3,;7.93,4.01,;4.62,1.76,;3.08,1.76,;3.85,3.1,;10.11,2.14,;10.51,3.62,;12.04,3.7,;12.88,4.99,;12.58,2.27,;14.07,1.87,;14.47,.38,;15.96,-.01,;17.05,1.07,;16.65,2.56,;15.16,2.96,;18.53,.68,;19.62,1.76,;18.93,-.81,;20.42,-1.21,;21.51,-.12,;23,-.52,;23.4,-2.01,;24.88,-2.41,;25.28,-3.89,;26.77,-4.29,;27.17,-5.78,;26.08,-6.87,;24.59,-6.47,;24.19,-4.98,;22.31,-3.1,;20.82,-2.7,;11.4,1.31,;11.48,-.23,)| Show InChI InChI=1S/C30H31N3O3/c34-28(32-20-5-1-17(2-6-20)15-18-11-13-31-14-12-18)19-3-7-21(8-4-19)33-29(35)26-22-9-10-23(25-16-24(22)25)27(26)30(33)36/h1-2,5-6,9-14,19,21-27H,3-4,7-8,15-16H2,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM79434 ((2-oxidanylideneoxolan-3-yl) 2-(4-methoxyphenyl)qu...) Show SMILES COc1ccc(cc1)-c1cc(C(=O)OC2CCOC2=O)c2ccccc2n1 Show InChI InChI=1S/C21H17NO5/c1-25-14-8-6-13(7-9-14)18-12-16(15-4-2-3-5-17(15)22-18)20(23)27-19-10-11-26-21(19)24/h2-9,12,19H,10-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM51685 (4-methoxy-N-[(8-phenylmethoxy-2-quinolinyl)methyli...) Show SMILES COc1ccc(cc1)C(=O)NN=Cc1ccc2cccc(OCc3ccccc3)c2n1 |w:11.11| Show InChI InChI=1S/C25H21N3O3/c1-30-22-14-11-20(12-15-22)25(29)28-26-16-21-13-10-19-8-5-9-23(24(19)27-21)31-17-18-6-3-2-4-7-18/h2-16H,17H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM79435 ((E)-2-Cyano-3-(2,5-dimethoxy-phenylamino)-acrylic ...) Show SMILES CCOC(=O)C(C=Nc1cc(OC)ccc1OC)C#N |w:7.7| Show InChI InChI=1S/C14H16N2O4/c1-4-20-14(17)10(8-15)9-16-12-7-11(18-2)5-6-13(12)19-3/h5-7,9-10H,4H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM33115 (1,5-diphenyl-3-(phenylcarbonyl)-3a,6a-dihydropyrro...) Show SMILES Oc1n(-c2ccccc2)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1 Show InChI InChI=1S/C24H17N3O3/c28-22(16-10-4-1-5-11-16)20-19-21(27(25-20)18-14-8-3-9-15-18)24(30)26(23(19)29)17-12-6-2-7-13-17/h1-15,25,30H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM79436 (1-(4-Chloro-phenyl)-5-(2-methoxy-phenyl)-4,6-dioxo...) Show SMILES COC(=O)c1[nH]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c12 |(13.99,-5.79,;13.51,-4.33,;12.01,-4.01,;10.98,-5.15,;11.53,-2.54,;12.43,-1.3,;11.53,-.07,;12.01,1.4,;10.98,2.54,;11.46,4.01,;12.96,4.33,;13.44,5.79,;13.99,3.18,;13.51,1.72,;10.07,-.53,;8.61,-.06,;8.13,1.41,;7.7,-1.3,;6.16,-1.3,;5.39,-2.64,;3.85,-2.64,;3.08,-1.3,;3.85,.03,;5.39,.03,;6.16,1.36,;5.39,2.7,;8.61,-2.55,;8.13,-4.02,;10.07,-2.07,)| Show InChI InChI=1S/C20H16ClN3O5/c1-28-14-6-4-3-5-13(14)23-18(25)15-16(20(27)29-2)22-24(17(15)19(23)26)12-9-7-11(21)8-10-12/h3-10,22,26H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM66459 ((6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin...) Show SMILES COc1cc2CCN(C(C)c2cc1OC)C(=O)c1cc2COc3ccccc3-c2s1 Show InChI InChI=1S/C24H23NO4S/c1-14-18-12-21(28-3)20(27-2)10-15(18)8-9-25(14)24(26)22-11-16-13-29-19-7-5-4-6-17(19)23(16)30-22/h4-7,10-12,14H,8-9,13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM63310 (MLS000418008 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...) Show SMILES O=C(Nc1ccc2OCCOc2c1)c1coc2ccccc2c1=O Show InChI InChI=1S/C18H13NO5/c20-17-12-3-1-2-4-14(12)24-10-13(17)18(21)19-11-5-6-15-16(9-11)23-8-7-22-15/h1-6,9-10H,7-8H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM79437 (2-[(4-ethoxyanilino)methylidene]-5-(2-furanyl)cycl...) Show SMILES CCOc1ccc(NC=C2C(=O)CC(CC2=O)c2ccco2)cc1 |(3.08,-8.82,;3.08,-7.28,;4.41,-6.51,;4.41,-4.97,;3.08,-4.2,;3.08,-2.66,;4.41,-1.89,;4.41,-.35,;5.75,.42,;5.75,1.96,;7.08,2.73,;8.41,1.96,;7.08,4.27,;5.75,5.04,;4.41,4.27,;4.41,2.73,;3.08,1.96,;6.52,6.38,;5.89,7.79,;7.04,8.82,;8.37,8.05,;8.05,6.54,;5.75,-2.66,;5.75,-4.2,)| Show InChI InChI=1S/C19H19NO4/c1-2-23-15-7-5-14(6-8-15)20-12-16-17(21)10-13(11-18(16)22)19-4-3-9-24-19/h3-9,12-13,20H,2,10-11H2,1H3/b16-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM51266 (3-Benzoyl-5-(2-methoxy-phenyl)-1-phenyl-3a,6a-dihy...) Show SMILES COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1 |(5.39,4.42,;6.16,3.08,;5.39,1.75,;3.85,1.75,;3.08,.41,;3.85,-.92,;5.39,-.92,;6.16,.41,;7.7,.41,;8.61,-.83,;8.13,-2.3,;10.07,-.36,;11.53,-.83,;12.43,.41,;11.53,1.65,;12.01,3.12,;10.98,4.26,;13.51,3.44,;13.99,4.9,;15.5,5.22,;16.53,4.07,;16.05,2.61,;14.54,2.29,;10.07,1.18,;8.61,1.66,;8.13,3.12,;12.01,-2.29,;13.51,-2.61,;13.99,-4.07,;12.96,-5.22,;11.46,-4.9,;10.98,-3.44,)| Show InChI InChI=1S/C25H19N3O4/c1-32-19-15-9-8-14-18(19)27-24(30)20-21(23(29)16-10-4-2-5-11-16)26-28(22(20)25(27)31)17-12-6-3-7-13-17/h2-15,26,31H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM71227 (6-Amino-4-(1H-indol-3-yl)-3-methyl-1,4-dihydro-pyr...) Show SMILES Cc1[nH]nc2OC(=N)C(C#N)C(c3c[nH]c4ccccc34)c12 Show InChI InChI=1S/C16H13N5O/c1-8-13-14(10(6-17)15(18)22-16(13)21-20-8)11-7-19-12-5-3-2-4-9(11)12/h2-5,7,10,14,18-19H,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM79438 (2-[4-[(2,5-dimethoxybenzyl)carbamoyl]piperidino]-N...) Show SMILES COc1cccc(NC(=O)c2ccnc(c2)N2CCC(CC2)C(=O)NCc2cc(OC)ccc2OC)c1 Show InChI InChI=1S/C28H32N4O5/c1-35-23-6-4-5-22(17-23)31-28(34)20-9-12-29-26(16-20)32-13-10-19(11-14-32)27(33)30-18-21-15-24(36-2)7-8-25(21)37-3/h4-9,12,15-17,19H,10-11,13-14,18H2,1-3H3,(H,30,33)(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM77507 (2-(4-methyl-phenyl)-3-hydroxy-4(1H)-quinolinone-7-...) Show SMILES CCCNC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1ccc(C)cc1 Show InChI InChI=1S/C20H20N2O3/c1-3-10-21-20(25)14-8-9-15-16(11-14)22-17(19(24)18(15)23)13-6-4-12(2)5-7-13/h4-9,11,24H,3,10H2,1-2H3,(H,21,25)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50445 (4-[(2-oxidanylidenebenzo[cd]indol-1-yl)methyl]-N'-...) Show SMILES Oc1ccc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c(O)c1 |w:6.6| Show InChI InChI=1S/C26H19N3O4/c30-20-12-11-19(23(31)13-20)14-27-28-25(32)18-9-7-16(8-10-18)15-29-22-6-2-4-17-3-1-5-21(24(17)22)26(29)33/h1-14,30-31H,15H2,(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM77506 (2-keto-6-nitro-N-[1-(tetrahydrofuryl)ethyl]chromen...) Show SMILES CC(NC(=O)c1cc2cc(ccc2oc1=O)[N+]([O-])=O)C1CCCO1 Show InChI InChI=1S/C16H16N2O6/c1-9(13-3-2-6-23-13)17-15(19)12-8-10-7-11(18(21)22)4-5-14(10)24-16(12)20/h4-5,7-9,13H,2-3,6H2,1H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM77505 (1-[[4-(diethylamino)benzylidene]amino]-3-(2-furfur...) Show SMILES CCN(CC)c1ccc(C=NNC(=S)NCc2ccco2)cc1 |w:10.10| Show InChI InChI=1S/C17H22N4OS/c1-3-21(4-2)15-9-7-14(8-10-15)12-19-20-17(23)18-13-16-6-5-11-22-16/h5-12H,3-4,13H2,1-2H3,(H2,18,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM77504 (1,3,5-triphenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazol...) Show SMILES Oc1n(-c2ccccc2)c(=O)c2c([nH]n(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C23H17N3O2/c27-22-19-20(16-10-4-1-5-11-16)24-26(18-14-8-3-9-15-18)21(19)23(28)25(22)17-12-6-2-7-13-17/h1-15,24,28H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM77503 (MLS000697060 | N-(3-allyl-6-sulfamoyl-1,3-benzothi...) Show SMILES NS(=O)(=O)c1ccc2n(CC=C)\c(=N\C(=O)c3cc(nc4ccccc34)-c3cccs3)sc2c1 Show InChI InChI=1S/C24H18N4O3S3/c1-2-11-28-20-10-9-15(34(25,30)31)13-22(20)33-24(28)27-23(29)17-14-19(21-8-5-12-32-21)26-18-7-4-3-6-16(17)18/h2-10,12-14H,1,11H2,(H2,25,30,31)/b27-24-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.16E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM77502 (4-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1 Show InChI InChI=1S/C21H18N2O2S2/c1-14-3-10-18(11-4-14)27(24,25)23-17-8-6-16(7-9-17)21-22-19-12-5-15(2)13-20(19)26-21/h3-13,23H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM77501 ((5E)-2-(4-methoxyphenyl)-5-(3,4,5-trimethoxybenzyl...) Show SMILES COc1ccc(cc1)C1=NC(=O)\C(O1)=C/c1cc(OC)c(OC)c(OC)c1 |t:9| Show InChI InChI=1S/C20H19NO6/c1-23-14-7-5-13(6-8-14)20-21-19(22)17(27-20)11-12-9-15(24-2)18(26-4)16(10-12)25-3/h5-11H,1-4H3/b17-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.52E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM57513 ((3Z)-2-keto-N'-[(E)-(6-ketocyclohexa-2,4-dien-1-yl...) Show SMILES Oc1ccccc1C=NNC(=O)C(=O)CC1=NC2(CCCC2)Cc2ccccc12 |w:8.9,t:16| Show InChI InChI=1S/C23H23N3O3/c27-20-10-4-2-8-17(20)15-24-26-22(29)21(28)13-19-18-9-3-1-7-16(18)14-23(25-19)11-5-6-12-23/h1-4,7-10,15,27H,5-6,11-14H2,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 61 total )  |  Next  |  Last  >>

Jump to: