Compile Data Set for Download or QSAR

Found 31 hits of ec50 data for polymerid = 1120   

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-9 (Homo sapiens (Human))	BDBM50512892 (CHEMBL4460352) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H](Oc2ccccc2)[C@H]1C(=O)N[C@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C31H42N4O4/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-25(39-22-14-7-6-8-15-22)26(35)29(37)33-24-17-11-13-21-12-9-10-16-23(21)24/h6-10,12,14-16,20,24-27,32H,11,13,17-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,24-,25+,26-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal CARD domain of caspase 9 (unknown origin)				J Med Chem 62: 5750-5772 (2019) Article DOI: 10.1021/acs.jmedchem.8b01668 BindingDB Entry DOI: 10.7270/Q21R6TVX
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM13167 ((2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)p...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19-,20-,21+/m0/s1	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	n/a	n/a	290	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal CARD domain of caspase 9 (unknown origin)				J Med Chem 62: 5750-5772 (2019) Article DOI: 10.1021/acs.jmedchem.8b01668 BindingDB Entry DOI: 10.7270/Q21R6TVX
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM50512891 (CHEMBL4459769) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C27H40N4O3/c1-18(28-2)25(32)30-24(20-11-4-3-5-12-20)27(34)31-17-9-16-23(31)26(33)29-22-15-8-13-19-10-6-7-14-21(19)22/h6-7,10,14,18,20,22-24,28H,3-5,8-9,11-13,15-17H2,1-2H3,(H,29,33)(H,30,32)/t18-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal CARD domain of caspase 9 (unknown origin)				J Med Chem 62: 5750-5772 (2019) Article DOI: 10.1021/acs.jmedchem.8b01668 BindingDB Entry DOI: 10.7270/Q21R6TVX
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89489 (3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-...) Show SMILES CC(Cn1nc(C)c(Br)c1C)C(O)=O Show InChI InChI=1S/C9H13BrN2O2/c1-5(9(13)14)4-12-7(3)8(10)6(2)11-12/h5H,4H2,1-3H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM80137 (3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...) Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM84003 (3-(1H-indol-3-yl)-2-methyl-propanoic acid | 3-(1H-...) Show SMILES CC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C12H13NO2/c1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89489 (3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-...) Show SMILES CC(Cn1nc(C)c(Br)c1C)C(O)=O Show InChI InChI=1S/C9H13BrN2O2/c1-5(9(13)14)4-12-7(3)8(10)6(2)11-12/h5H,4H2,1-3H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM80137 (3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...) Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89496 (3-(2-chloranyl-6-fluoranyl-phenyl)-4,5-dihydro-1,2...) Show SMILES OC(=O)C1CC(=NO1)c1c(F)cccc1Cl |c:5| Show InChI InChI=1S/C10H7ClFNO3/c11-5-2-1-3-6(12)9(5)7-4-8(10(14)15)16-13-7/h1-3,8H,4H2,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM50118591 ((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...) Show SMILES COc1ccc(cc1)C1=NOC(C1)C(O)=O |t:9| Show InChI InChI=1S/C11H11NO4/c1-15-8-4-2-7(3-5-8)9-6-10(11(13)14)16-12-9/h2-5,10H,6H2,1H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89497 (3-(2,5-dimethoxyphenyl)-2-isoxazoline-5-carboxylic...) Show SMILES COc1ccc(OC)c(c1)C1=NOC(C1)C(O)=O |t:11| Show InChI InChI=1S/C12H13NO5/c1-16-7-3-4-10(17-2)8(5-7)9-6-11(12(14)15)18-13-9/h3-5,11H,6H2,1-2H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89498 (2-methyl-3-(1-piperidinyl)propanoic acid | 2-methy...) Show SMILES CC(CN1CCCCC1)C(O)=O Show InChI InChI=1S/C9H17NO2/c1-8(9(11)12)7-10-5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89499 (3-(1-benzimidazolyl)-2-methylpropanoic acid | 3-(b...) Show SMILES CC(Cn1cnc2ccccc12)C(O)=O Show InChI InChI=1S/C11H12N2O2/c1-8(11(14)15)6-13-7-12-9-4-2-3-5-10(9)13/h2-5,7-8H,6H2,1H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89500 (2-methyl-3-(1-phenylethylamino)propanoic acid | 2-...) Show SMILES CC(CNC(C)c1ccccc1)C(O)=O Show InChI InChI=1S/C12H17NO2/c1-9(12(14)15)8-13-10(2)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89501 (2-methyl-3-(3,4,5-trimethyl-1-pyrazolyl)propanoic ...) Show SMILES CC(Cn1nc(C)c(C)c1C)C(O)=O Show InChI InChI=1S/C10H16N2O2/c1-6(10(13)14)5-12-9(4)7(2)8(3)11-12/h6H,5H2,1-4H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89502 (2-methyl-3-(2-methyl-1-benzimidazolyl)propanoic ac...) Show SMILES CC(Cn1c(C)nc2ccccc12)C(O)=O Show InChI InChI=1S/C12H14N2O2/c1-8(12(15)16)7-14-9(2)13-10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89490 (3-(3,5-dimethyl-1-pyrazolyl)-2-methylbutanoic acid...) Show SMILES CC(C(C)n1nc(C)cc1C)C(O)=O Show InChI InChI=1S/C10H16N2O2/c1-6-5-7(2)12(11-6)9(4)8(3)10(13)14/h5,8-9H,1-4H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89504 (3-(1-benzotriazolyl)-2-methylpropanoic acid | 3-(b...) Show SMILES CC(Cn1nnc2ccccc12)C(O)=O Show InChI InChI=1S/C10H11N3O2/c1-7(10(14)15)6-13-9-5-3-2-4-8(9)11-12-13/h2-5,7H,6H2,1H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89505 (1-(1-pyrazolylmethyl)-1-cyclopropanecarboxylic aci...) Show SMILES OC(=O)C1(Cn2cccn2)CC1 Show InChI InChI=1S/C8H10N2O2/c11-7(12)8(2-3-8)6-10-5-1-4-9-10/h1,4-5H,2-3,6H2,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89506 (3-(2-methoxyphenyl)-2-isoxazoline-5-carboxylic aci...) Show SMILES COc1ccccc1C1=NOC(C1)C(O)=O |t:9| Show InChI InChI=1S/C11H11NO4/c1-15-9-5-3-2-4-7(9)8-6-10(11(13)14)16-12-8/h2-5,10H,6H2,1H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89507 (2-methyl-3-(1-pyrrolidinyl)propanoic acid | 2-meth...) Show SMILES CC(CN1CCCC1)C(O)=O Show InChI InChI=1S/C8H15NO2/c1-7(8(10)11)6-9-4-2-3-5-9/h7H,2-6H2,1H3,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89508 (2-methyl-3-(4-morpholinyl)propanoic acid | 2-methy...) Show SMILES CC(CN1CCOCC1)C(O)=O Show InChI InChI=1S/C8H15NO3/c1-7(8(10)11)6-9-2-4-12-5-3-9/h7H,2-6H2,1H3,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89495 (3-(3-bromophenyl)-2-isoxazoline-5-carboxylic acid ...) Show SMILES OC(=O)C1CC(=NO1)c1cccc(Br)c1 |c:5| Show InChI InChI=1S/C10H8BrNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89494 (3-(2-chlorophenyl)-2-isoxazoline-5-carboxylic acid...) Show SMILES OC(=O)C1CC(=NO1)c1ccccc1Cl |c:5| Show InChI InChI=1S/C10H8ClNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89493 ((3E)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)isoxazo...) Show SMILES OC(=O)C1CC(=NO1)c1ccccc1O |c:5| Show InChI InChI=1S/C10H9NO4/c12-8-4-2-1-3-6(8)7-5-9(10(13)14)15-11-7/h1-4,9,12H,5H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89492 (3-(5-chloranyl-2,4-dimethoxy-phenyl)-4,5-dihydro-1...) Show SMILES COc1cc(OC)c(cc1Cl)C1=NOC(C1)C(O)=O |t:12| Show InChI InChI=1S/C12H12ClNO5/c1-17-9-5-10(18-2)7(13)3-6(9)8-4-11(12(15)16)19-14-8/h3,5,11H,4H2,1-2H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89491 (2-methyl-3-(1-pyrazolyl)propanoic acid | 2-methyl-...) Show SMILES CC(Cn1cccn1)C(O)=O Show InChI InChI=1S/C7H10N2O2/c1-6(7(10)11)5-9-4-2-3-8-9/h2-4,6H,5H2,1H3,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89490 (3-(3,5-dimethyl-1-pyrazolyl)-2-methylbutanoic acid...) Show SMILES CC(C(C)n1nc(C)cc1C)C(O)=O Show InChI InChI=1S/C10H16N2O2/c1-6-5-7(2)12(11-6)9(4)8(3)10(13)14/h5,8-9H,1-4H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM89489 (3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-...) Show SMILES CC(Cn1nc(C)c(Br)c1C)C(O)=O Show InChI InChI=1S/C9H13BrN2O2/c1-5(9(13)14)4-12-7(3)8(10)6(2)11-12/h5H,4H2,1-3H3,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM84003 (3-(1H-indol-3-yl)-2-methyl-propanoic acid | 3-(1H-...) Show SMILES CC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C12H13NO2/c1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM80137 (3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carbox...) Show SMILES OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5| Show InChI InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20P0XMR
					More data for this Ligand-Target Pair