lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NX14
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: Q15008
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NRX3
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NRX3
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: O00231
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9BU61
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9BU61
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: O00232
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N183
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N183
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: O43242
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: Q16795
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: Q16795
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: Q13200
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: Q16718
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: Q16718
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P62195
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: P56181
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: P56181
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P17980
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: P49821
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: P49821
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P62333
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: P28331
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: P28331
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P43686
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: P19404
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: P19404
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P62191
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O96000
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O96000
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P35998
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O95298
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O95298
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: Q16186
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O95182
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O95182
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: O00487
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O95178
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O95178
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: Q99460
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O95169
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O95169
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: Q99436
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O95168
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O95168
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28070
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O95167
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O95167
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P49720
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O75489
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O75489
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: A5LHX3
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O75438
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O75438
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P40306
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O75380
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O75380
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8TAA3
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O75251
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O75251
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: O14818
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O43920
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O43920
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P60900
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O43678
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O43678
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28066
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O43677
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O43677
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P25789
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O43676
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O43676
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P25788
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O43181
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O43181
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P25787
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O15239
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O15239
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P25786
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O14561
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O14561
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28072
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: P03897
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: P03897
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28065
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: P03905
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: P03905
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O
InChIKey: ZSYIAUXMQLVKIL-BLTCOFLISA-N
Target: 26S proteasome (PROTEIN COMPLEX), Homo sapiens
UniProt: P28062
Assay: Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 369.42, ALogP -0.61, HBA 6, HBD 4, PSA 147.82, QED 0.4
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O43674
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57
Compound (SMILES): CC(C)=CCOc1ccc(CCNC(=O)/C=C/c2ccccc2)cc1
InChIKey: GDBYZGRXGDJMHH-JLHYYAGUSA-N
Target: Mitochondrial complex I (NADH dehydrogenase) (PROTEIN COMPLEX), Homo sapiens
UniProt: O43674
Assay: Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 335.45, ALogP 4.4, HBA 2, HBD 1, PSA 38.33, QED 0.57