lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1C2CCC1CC(N1CCCCC1)C2
InChIKey: GAQORKDLFMWTDF-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 9.7 nM (pChEMBL 8.010000228881836)
Descriptors: MW 630.23, ALogP 6.91, HBA 5, HBD 0, PSA 70.16, QED 0.35
Compound (SMILES): CCC(CO)NC1CC2CCC(C1)N2C(=O)OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: XEAMFNQXXHLSLU-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 21.5 nM (pChEMBL 7.670000076293945)
Descriptors: MW 634.21, ALogP 5.79, HBA 6, HBD 2, PSA 99.18, QED 0.36
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1C2CCC1CC(N1CC[C@@H](O)C1)C2
InChIKey: AWDGOLBDZGNTFZ-PIXCRGMLSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 632.2, ALogP 5.49, HBA 6, HBD 1, PSA 90.39, QED 0.45
Compound (SMILES): CC1CN(C(=O)OC2(C3CCCC(c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC(C)N1
InChIKey: UTHMUINLECVICV-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 120.4 nM (pChEMBL 6.920000076293945)
Descriptors: MW 550.1, ALogP 5.12, HBA 5, HBD 1, PSA 78.95, QED 0.56
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1
InChIKey: IRYDPZOKPJBEFP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 566.1, ALogP 4.04, HBA 6, HBD 1, PSA 90.39, QED 0.54
Compound (SMILES): C[C@H]1CN(CCO)CCN1C(=O)OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: MFDZSGSRFDWNEW-WOEOTAOXSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 28.7 nM (pChEMBL 7.539999961853027)
Descriptors: MW 580.12, ALogP 4.43, HBA 6, HBD 1, PSA 90.39, QED 0.52
Compound (SMILES): C[C@H]1CN(C(C)(CO)CO)CCN1C(=O)OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: RMMNMQOLNRMZRW-HTFLBPPUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 5.1 nM (pChEMBL 8.289999961853027)
Descriptors: MW 624.18, ALogP 4.18, HBA 7, HBD 2, PSA 110.62, QED 0.45
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCCCC2)CC1
InChIKey: HFCBNESMBVZUHP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 5.8 nM (pChEMBL 8.239999771118164)
Descriptors: MW 622.18, ALogP 6.52, HBA 5, HBD 0, PSA 70.16, QED 0.37
Compound (SMILES): C[C@H]1CNCCN1C(=O)OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: MZLHBHJWAVLXBF-XWFFHEKESA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 153.5 nM (pChEMBL 6.809999942779541)
Descriptors: MW 554.06, ALogP 4.87, HBA 5, HBD 1, PSA 78.95, QED 0.57
Compound (SMILES): CC(C)N1CCN(C(=O)OC2(C3CCCC(c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIKey: QRUVSTZLYGAOFS-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 582.11, ALogP 5.6, HBA 5, HBD 0, PSA 70.16, QED 0.44
Compound (SMILES): CCN1CCN(C(=O)OC2(C3CCCC(c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIKey: BPHSGFNDDBHOCL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 7.5 nM (pChEMBL 8.119999885559082)
Descriptors: MW 568.09, ALogP 5.21, HBA 5, HBD 0, PSA 70.16, QED 0.48
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1
InChIKey: KKKLWLSGVSXCDO-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 584.09, ALogP 4.18, HBA 6, HBD 1, PSA 90.39, QED 0.53
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CCC(N2CCCCC2)CC1
InChIKey: SMFQFPRZNCDEKA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 12.9 nM (pChEMBL 7.889999866485596)
Descriptors: MW 623.71, ALogP 6.15, HBA 5, HBD 0, PSA 70.16, QED 0.36
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CCN(CCO)CC1
InChIKey: ZVJWWQYNYFOGEZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 24.7 nM (pChEMBL 7.610000133514404)
Descriptors: MW 585.62, ALogP 3.81, HBA 6, HBD 1, PSA 90.39, QED 0.5
Compound (SMILES): O=C(OCC1CCCC(c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1
InChIKey: SAJYZUZYZMJMOG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 7.7 nM (pChEMBL 8.109999656677246)
Descriptors: MW 578.15, ALogP 5.85, HBA 5, HBD 0, PSA 70.16, QED 0.43
Compound (SMILES): O=C(OCC1CCCC(c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1
InChIKey: SAJYZUZYZMJMOG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase (unknown origin) assessed as reduction in amyloid beta (1 to 42) production
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 578.15, ALogP 5.85, HBA 5, HBD 0, PSA 70.16, QED 0.43
Compound (SMILES): CN1CN(C)C2(CCN(C(=O)OCC3CCCC(c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O
InChIKey: HZAVUUXVJPCTKH-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 26.8 nM (pChEMBL 7.570000171661377)
Descriptors: MW 611.11, ALogP 4.24, HBA 6, HBD 0, PSA 90.47, QED 0.5
Compound (SMILES): O=C(OCC1CCCC(c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1
InChIKey: ZIKGOADCTDQKTA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 36.1 nM (pChEMBL 7.440000057220459)
Descriptors: MW 596.14, ALogP 5.99, HBA 5, HBD 0, PSA 70.16, QED 0.41
Compound (SMILES): O=C(OCC1CCCC(c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCNCC1
InChIKey: UTGTYKXGHNMKEA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 74.8 nM (pChEMBL 7.130000114440918)
Descriptors: MW 513.99, ALogP 3.94, HBA 5, HBD 1, PSA 78.95, QED 0.65
Compound (SMILES): C[C@H]1CN(CC2CC2)CCN1C(=O)OCC1CCCC(c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: CKYOUSJBAOMLEO-ZKOIANSBSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 582.11, ALogP 5.46, HBA 5, HBD 0, PSA 70.16, QED 0.43
Compound (SMILES): O=C(OC[C@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIKey: RISLSFBBDMOBFM-PXJZQJOASA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 152.5 nM (pChEMBL 6.820000171661377)
Descriptors: MW 659.16, ALogP 5.47, HBA 6, HBD 1, PSA 99.26, QED 0.38
Compound (SMILES): CN(c1ccccc1)C1CCN(C(=O)OCC2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: QWKKERFWCBQVNC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 164.5 nM (pChEMBL 6.78000020980835)
Descriptors: MW 618.15, ALogP 6.64, HBA 5, HBD 0, PSA 70.16, QED 0.3
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCCCC2)CC1
InChIKey: ULTXWBYNFDFCHD-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 604.19, ALogP 6.38, HBA 5, HBD 0, PSA 70.16, QED 0.38
Compound (SMILES): CN1CN(C)C2(CCN(C(=O)OC3(C4CCCC(c5cc(F)cc(F)c5)N4S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)C1=O
InChIKey: BIIRTFGVDKBXGB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 5.3 nM (pChEMBL 8.279999732971191)
Descriptors: MW 637.15, ALogP 4.77, HBA 6, HBD 0, PSA 90.47, QED 0.47
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(C2CCCCC2)CC1
InChIKey: OQRTUCNCZGBLPM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 4.2 nM (pChEMBL 8.380000114440918)
Descriptors: MW 622.18, ALogP 6.52, HBA 5, HBD 0, PSA 70.16, QED 0.37
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCNCC1
InChIKey: LOQBCMGMKAMTGR-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 7.9 nM (pChEMBL 8.100000381469727)
Descriptors: MW 540.03, ALogP 4.48, HBA 5, HBD 1, PSA 78.95, QED 0.61
Compound (SMILES): C[C@H]1CN(CC2CC2)CCN1C(=O)OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: ZIDJCKAKCGREPA-FMJDMSIASA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 6.1 nM (pChEMBL 8.210000038146973)
Descriptors: MW 608.15, ALogP 5.99, HBA 5, HBD 0, PSA 70.16, QED 0.39
Compound (SMILES): O=C(OC1([C@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIKey: VOQKFRKBIAKGJR-XZWHSSHBSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 8.5 nM (pChEMBL 8.069999694824219)
Descriptors: MW 685.19, ALogP 6, HBA 6, HBD 1, PSA 99.26, QED 0.34
Compound (SMILES): CN(c1ccccc1)C1CCN(C(=O)OC2(C3CCCC(c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIKey: RTDAILOKMDUKFG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 15.4 nM (pChEMBL 7.809999942779541)
Descriptors: MW 626.19, ALogP 7.03, HBA 5, HBD 0, PSA 70.16, QED 0.28
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(O)(C2CC2)CC1
InChIKey: CCEXTQUWIPKZIM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 3.7 nM (pChEMBL 8.430000305175781)
Descriptors: MW 577.12, ALogP 5.67, HBA 5, HBD 1, PSA 87.15, QED 0.48
Compound (SMILES): CCCC1(O)CCN(C(=O)OC2(C3CCCC(c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIKey: APDXGFXHWZTIAN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 4.5 nM (pChEMBL 8.350000381469727)
Descriptors: MW 579.13, ALogP 6.06, HBA 5, HBD 1, PSA 87.15, QED 0.43
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCC(F)(F)CC2)CC1
InChIKey: HSJXMFJMCVMAKI-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 2.3 nM (pChEMBL 8.640000343322754)
Descriptors: MW 640.17, ALogP 6.63, HBA 5, HBD 0, PSA 70.16, QED 0.36
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1C2CCC1CC(N1CCCCC1)C2
InChIKey: GAQORKDLFMWTDF-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 630.23, ALogP 6.91, HBA 5, HBD 0, PSA 70.16, QED 0.35
Compound (SMILES): CCC(CO)NC1CC2CCC(C1)N2C(=O)OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: XEAMFNQXXHLSLU-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 5.2 nM (pChEMBL 8.279999732971191)
Descriptors: MW 634.21, ALogP 5.79, HBA 6, HBD 2, PSA 99.18, QED 0.36
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1C2CCC1CC(N1CC[C@@H](O)C1)C2
InChIKey: AWDGOLBDZGNTFZ-PIXCRGMLSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 632.2, ALogP 5.49, HBA 6, HBD 1, PSA 90.39, QED 0.45
Compound (SMILES): CC1CN(C(=O)OC2(C3CCCC(c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC(C)N1
InChIKey: UTHMUINLECVICV-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 5.3 nM (pChEMBL 8.279999732971191)
Descriptors: MW 550.1, ALogP 5.12, HBA 5, HBD 1, PSA 78.95, QED 0.56
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1
InChIKey: IRYDPZOKPJBEFP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 566.1, ALogP 4.04, HBA 6, HBD 1, PSA 90.39, QED 0.54
Compound (SMILES): C[C@H]1CN(CCO)CCN1C(=O)OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: MFDZSGSRFDWNEW-WOEOTAOXSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 2.1 nM (pChEMBL 8.680000305175781)
Descriptors: MW 580.12, ALogP 4.43, HBA 6, HBD 1, PSA 90.39, QED 0.52
Compound (SMILES): C[C@H]1CN(C(C)(CO)CO)CCN1C(=O)OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: RMMNMQOLNRMZRW-HTFLBPPUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 0.9 nM (pChEMBL 9.050000190734863)
Descriptors: MW 624.18, ALogP 4.18, HBA 7, HBD 2, PSA 110.62, QED 0.45
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCCCC2)CC1
InChIKey: HFCBNESMBVZUHP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 622.18, ALogP 6.52, HBA 5, HBD 0, PSA 70.16, QED 0.37
Compound (SMILES): C[C@H]1CNCCN1C(=O)OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: MZLHBHJWAVLXBF-XWFFHEKESA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 16.8 nM (pChEMBL 7.78000020980835)
Descriptors: MW 554.06, ALogP 4.87, HBA 5, HBD 1, PSA 78.95, QED 0.57
Compound (SMILES): CC(C)N1CCN(C(=O)OC2(C3CCCC(c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIKey: QRUVSTZLYGAOFS-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 2.7 nM (pChEMBL 8.569999694824219)
Descriptors: MW 582.11, ALogP 5.6, HBA 5, HBD 0, PSA 70.16, QED 0.44
Compound (SMILES): CCN1CCN(C(=O)OC2(C3CCCC(c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIKey: BPHSGFNDDBHOCL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 1.1 nM (pChEMBL 8.960000038146973)
Descriptors: MW 568.09, ALogP 5.21, HBA 5, HBD 0, PSA 70.16, QED 0.48
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1
InChIKey: KKKLWLSGVSXCDO-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 584.09, ALogP 4.18, HBA 6, HBD 1, PSA 90.39, QED 0.53
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CCC(N2CCCCC2)CC1
InChIKey: SMFQFPRZNCDEKA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 3.5 nM (pChEMBL 8.460000038146973)
Descriptors: MW 623.71, ALogP 6.15, HBA 5, HBD 0, PSA 70.16, QED 0.36
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CCN(CCO)CC1
InChIKey: ZVJWWQYNYFOGEZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 16.8 nM (pChEMBL 7.78000020980835)
Descriptors: MW 585.62, ALogP 3.81, HBA 6, HBD 1, PSA 90.39, QED 0.5
Compound (SMILES): O=C(NCCc1ccccc1)OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: ZPAUJHVQYHXFCE-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 1096 nM (pChEMBL 5.960000038146973)
Descriptors: MW 485.01, ALogP 4.82, HBA 4, HBD 1, PSA 75.71, QED 0.52
Compound (SMILES): O=C(NCCO)OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: XJLKKOARNFMGDX-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 4488 nM (pChEMBL 5.349999904632568)
Descriptors: MW 424.91, ALogP 2.57, HBA 5, HBD 2, PSA 95.94, QED 0.74
Compound (SMILES): O=C(NCc1ccc([N+](=O)[O-])cc1)OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: IRVIFZNFLNBCIZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 2959 nM (pChEMBL 5.53000020980835)
Descriptors: MW 515.98, ALogP 4.68, HBA 6, HBD 1, PSA 118.85, QED 0.36
Compound (SMILES): O=C(NCCCN1CCCC1)OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: XMVXRDVOJDNQTO-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 394 nM (pChEMBL 6.409999847412109)
Descriptors: MW 492.04, ALogP 4.06, HBA 5, HBD 1, PSA 78.95, QED 0.56
Compound (SMILES): CCN(CCCN1CCCC1)C(=O)OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: HPOLURHHABJCJE-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 172 nM (pChEMBL 6.760000228881836)
Descriptors: MW 520.1, ALogP 4.79, HBA 5, HBD 0, PSA 70.16, QED 0.48
Compound (SMILES): CN1CCCC1CCNC(=O)OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: LCGHSPJRPTUKNI-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 504 nM (pChEMBL 6.300000190734863)
Descriptors: MW 492.04, ALogP 4.06, HBA 5, HBD 1, PSA 78.95, QED 0.63
Compound (SMILES): CCN(CCC1CCCN1C)C(=O)OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: AHSDNIAHOYAMKA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 253 nM (pChEMBL 6.599999904632568)
Descriptors: MW 520.1, ALogP 4.79, HBA 5, HBD 0, PSA 70.16, QED 0.5
Compound (SMILES): O=C(NCc1ccncc1)OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: LZALKIBDKKXPNW-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 1644 nM (pChEMBL 5.78000020980835)
Descriptors: MW 471.97, ALogP 4.17, HBA 5, HBD 1, PSA 88.6, QED 0.58
Compound (SMILES): CCN(Cc1ccncc1)C(=O)OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: VRWJKFCKLCSQPY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 88 nM (pChEMBL 7.059999942779541)
Descriptors: MW 500.02, ALogP 4.9, HBA 5, HBD 0, PSA 79.81, QED 0.46
Compound (SMILES): CCN(Cc1ccnc(N)c1)C(=O)OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: SPIOBNKVXQIRNR-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 580 nM (pChEMBL 6.239999771118164)
Descriptors: MW 515.04, ALogP 4.49, HBA 6, HBD 1, PSA 105.83, QED 0.5
Compound (SMILES): CCCN1CCN(C(=O)OCC2CCc3ccccc3N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: IUSSQNDJHZUQPS-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 440 nM (pChEMBL 6.360000133514404)
Descriptors: MW 492.04, ALogP 4.01, HBA 5, HBD 0, PSA 70.16, QED 0.61
Compound (SMILES): O=C(OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(CCO)CC1
InChIKey: CUJOYIIUBNBHOL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 299 nM (pChEMBL 6.519999980926514)
Descriptors: MW 494.01, ALogP 2.6, HBA 6, HBD 1, PSA 90.39, QED 0.66
Compound (SMILES): O=C(OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1
InChIKey: LUILOZMCUXFBLL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 540 nM (pChEMBL 6.269999980926514)
Descriptors: MW 532.11, ALogP 4.94, HBA 5, HBD 0, PSA 70.16, QED 0.55
Compound (SMILES): NC1CCN(C(=O)OCC2CCc3ccccc3N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: ALKPVBIUIDGGPN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 680 nM (pChEMBL 6.170000076293945)
Descriptors: MW 463.99, ALogP 3.41, HBA 5, HBD 1, PSA 92.94, QED 0.75
Compound (SMILES): CN(C)C1CCN(C(=O)OCC2CCc3ccccc3N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: OMLZOUCHAGNANH-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 629 nM (pChEMBL 6.199999809265137)
Descriptors: MW 492.04, ALogP 4.01, HBA 5, HBD 0, PSA 70.16, QED 0.63
Compound (SMILES): O=C(OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCC2)CC1
InChIKey: XQSRQSRXBJQEKG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 518.08, ALogP 4.55, HBA 5, HBD 0, PSA 70.16, QED 0.58
Compound (SMILES): O=C(OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCCC2)CC1
InChIKey: QVZYXZXMHHINRJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 255 nM (pChEMBL 6.590000152587891)
Descriptors: MW 546.13, ALogP 5.33, HBA 5, HBD 0, PSA 70.16, QED 0.51
Compound (SMILES): O=C(OCC1CCc2c(F)cc(F)cc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1
InChIKey: HBGHSOQXDLWDPG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 219 nM (pChEMBL 6.659999847412109)
Descriptors: MW 568.09, ALogP 5.22, HBA 5, HBD 0, PSA 70.16, QED 0.5
Compound (SMILES): O=C(OCC1CCc2c(F)ccc(F)c2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1
InChIKey: SLJGZZWFAUNAKU-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 217 nM (pChEMBL 6.659999847412109)
Descriptors: MW 568.09, ALogP 5.22, HBA 5, HBD 0, PSA 70.16, QED 0.5
Compound (SMILES): O=C(OCC1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1
InChIKey: ONCGWUSDKWZDEA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 550.1, ALogP 5.08, HBA 5, HBD 0, PSA 70.16, QED 0.52
Compound (SMILES): O=C(OCC1CCc2ccc(F)cc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1
InChIKey: PHVSXWGGJQKCLX-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of Gamma-secretase
Measurement: IC50 = 56 nM (pChEMBL 7.25)
Descriptors: MW 550.1, ALogP 5.08, HBA 5, HBD 0, PSA 70.16, QED 0.52
Compound (SMILES): CC(C)(OC(=O)N1CCC(N2CCCCC2)CC1)C1CCCC(c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: HSHATGMVTYSDEB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 4.4 nM (pChEMBL 8.359999656677246)
Descriptors: MW 606.2, ALogP 6.63, HBA 5, HBD 0, PSA 70.16, QED 0.37
Compound (SMILES): O=C(OCC1CCCC(c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1
InChIKey: SAJYZUZYZMJMOG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 11.2 nM (pChEMBL 7.949999809265137)
Descriptors: MW 578.15, ALogP 5.85, HBA 5, HBD 0, PSA 70.16, QED 0.43
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(O)(C2CC2)CC1
InChIKey: CCEXTQUWIPKZIM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 7.7 nM (pChEMBL 8.109999656677246)
Descriptors: MW 577.12, ALogP 5.67, HBA 5, HBD 1, PSA 87.15, QED 0.48
Compound (SMILES): CCCC1(O)CCN(C(=O)OC2(C3CCCC(c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIKey: APDXGFXHWZTIAN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 10.7 nM (pChEMBL 7.96999979019165)
Descriptors: MW 579.13, ALogP 6.06, HBA 5, HBD 1, PSA 87.15, QED 0.43
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCC(F)(F)CC2)CC1
InChIKey: HSJXMFJMCVMAKI-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 5.5 nM (pChEMBL 8.260000228881836)
Descriptors: MW 640.17, ALogP 6.63, HBA 5, HBD 0, PSA 70.16, QED 0.36
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1C2CCC1CC(N1CCCCC1)C2
InChIKey: GAQORKDLFMWTDF-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 9.7 nM (pChEMBL 8.010000228881836)
Descriptors: MW 630.23, ALogP 6.91, HBA 5, HBD 0, PSA 70.16, QED 0.35
Compound (SMILES): CCC(CO)NC1CC2CCC(C1)N2C(=O)OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: XEAMFNQXXHLSLU-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 21.5 nM (pChEMBL 7.670000076293945)
Descriptors: MW 634.21, ALogP 5.79, HBA 6, HBD 2, PSA 99.18, QED 0.36
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1C2CCC1CC(N1CC[C@@H](O)C1)C2
InChIKey: AWDGOLBDZGNTFZ-PIXCRGMLSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 632.2, ALogP 5.49, HBA 6, HBD 1, PSA 90.39, QED 0.45
Compound (SMILES): CC1CN(C(=O)OC2(C3CCCC(c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC(C)N1
InChIKey: UTHMUINLECVICV-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 120.4 nM (pChEMBL 6.920000076293945)
Descriptors: MW 550.1, ALogP 5.12, HBA 5, HBD 1, PSA 78.95, QED 0.56
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1
InChIKey: IRYDPZOKPJBEFP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 566.1, ALogP 4.04, HBA 6, HBD 1, PSA 90.39, QED 0.54
Compound (SMILES): C[C@H]1CN(CCO)CCN1C(=O)OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: MFDZSGSRFDWNEW-WOEOTAOXSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 28.7 nM (pChEMBL 7.539999961853027)
Descriptors: MW 580.12, ALogP 4.43, HBA 6, HBD 1, PSA 90.39, QED 0.52
Compound (SMILES): C[C@H]1CN(C(C)(CO)CO)CCN1C(=O)OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: RMMNMQOLNRMZRW-HTFLBPPUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 5.1 nM (pChEMBL 8.289999961853027)
Descriptors: MW 624.18, ALogP 4.18, HBA 7, HBD 2, PSA 110.62, QED 0.45
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCCCC2)CC1
InChIKey: HFCBNESMBVZUHP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 5.8 nM (pChEMBL 8.239999771118164)
Descriptors: MW 622.18, ALogP 6.52, HBA 5, HBD 0, PSA 70.16, QED 0.37
Compound (SMILES): C[C@H]1CNCCN1C(=O)OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: MZLHBHJWAVLXBF-XWFFHEKESA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 153.5 nM (pChEMBL 6.809999942779541)
Descriptors: MW 554.06, ALogP 4.87, HBA 5, HBD 1, PSA 78.95, QED 0.57
Compound (SMILES): CC(C)N1CCN(C(=O)OC2(C3CCCC(c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIKey: QRUVSTZLYGAOFS-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 582.11, ALogP 5.6, HBA 5, HBD 0, PSA 70.16, QED 0.44
Compound (SMILES): CCN1CCN(C(=O)OC2(C3CCCC(c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIKey: BPHSGFNDDBHOCL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 7.5 nM (pChEMBL 8.119999885559082)
Descriptors: MW 568.09, ALogP 5.21, HBA 5, HBD 0, PSA 70.16, QED 0.48
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1
InChIKey: KKKLWLSGVSXCDO-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 584.09, ALogP 4.18, HBA 6, HBD 1, PSA 90.39, QED 0.53
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CCC(N2CCCCC2)CC1
InChIKey: SMFQFPRZNCDEKA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 12.9 nM (pChEMBL 7.889999866485596)
Descriptors: MW 623.71, ALogP 6.15, HBA 5, HBD 0, PSA 70.16, QED 0.36
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CCN(CCO)CC1
InChIKey: ZVJWWQYNYFOGEZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 24.7 nM (pChEMBL 7.610000133514404)
Descriptors: MW 585.62, ALogP 3.81, HBA 6, HBD 1, PSA 90.39, QED 0.5
Compound (SMILES): O=C(OCC1CCCC(c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1
InChIKey: SAJYZUZYZMJMOG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cells by whole cell-based assay
Measurement: IC50 = 7.7 nM (pChEMBL 8.109999656677246)
Descriptors: MW 578.15, ALogP 5.85, HBA 5, HBD 0, PSA 70.16, QED 0.43
Compound (SMILES): O=C(OCC1CCCC(c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1
InChIKey: SAJYZUZYZMJMOG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase (unknown origin) assessed as reduction in amyloid beta (1 to 42) production
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 578.15, ALogP 5.85, HBA 5, HBD 0, PSA 70.16, QED 0.43
Compound (SMILES): CN1CN(C)C2(CCN(C(=O)OCC3CCCC(c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O
InChIKey: HZAVUUXVJPCTKH-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 26.8 nM (pChEMBL 7.570000171661377)
Descriptors: MW 611.11, ALogP 4.24, HBA 6, HBD 0, PSA 90.47, QED 0.5
Compound (SMILES): O=C(OCC1CCCC(c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1
InChIKey: ZIKGOADCTDQKTA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 36.1 nM (pChEMBL 7.440000057220459)
Descriptors: MW 596.14, ALogP 5.99, HBA 5, HBD 0, PSA 70.16, QED 0.41
Compound (SMILES): O=C(OCC1CCCC(c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCNCC1
InChIKey: UTGTYKXGHNMKEA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 74.8 nM (pChEMBL 7.130000114440918)
Descriptors: MW 513.99, ALogP 3.94, HBA 5, HBD 1, PSA 78.95, QED 0.65
Compound (SMILES): C[C@H]1CN(CC2CC2)CCN1C(=O)OCC1CCCC(c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: CKYOUSJBAOMLEO-ZKOIANSBSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 582.11, ALogP 5.46, HBA 5, HBD 0, PSA 70.16, QED 0.43
Compound (SMILES): O=C(OC[C@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIKey: RISLSFBBDMOBFM-PXJZQJOASA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 152.5 nM (pChEMBL 6.820000171661377)
Descriptors: MW 659.16, ALogP 5.47, HBA 6, HBD 1, PSA 99.26, QED 0.38
Compound (SMILES): CN(c1ccccc1)C1CCN(C(=O)OCC2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: QWKKERFWCBQVNC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 164.5 nM (pChEMBL 6.78000020980835)
Descriptors: MW 618.15, ALogP 6.64, HBA 5, HBD 0, PSA 70.16, QED 0.3
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCCCC2)CC1
InChIKey: ULTXWBYNFDFCHD-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 604.19, ALogP 6.38, HBA 5, HBD 0, PSA 70.16, QED 0.38
Compound (SMILES): CN1CN(C)C2(CCN(C(=O)OC3(C4CCCC(c5cc(F)cc(F)c5)N4S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)C1=O
InChIKey: BIIRTFGVDKBXGB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 5.3 nM (pChEMBL 8.279999732971191)
Descriptors: MW 637.15, ALogP 4.77, HBA 6, HBD 0, PSA 90.47, QED 0.47
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(C2CCCCC2)CC1
InChIKey: OQRTUCNCZGBLPM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 4.2 nM (pChEMBL 8.380000114440918)
Descriptors: MW 622.18, ALogP 6.52, HBA 5, HBD 0, PSA 70.16, QED 0.37
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCNCC1
InChIKey: LOQBCMGMKAMTGR-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 7.9 nM (pChEMBL 8.100000381469727)
Descriptors: MW 540.03, ALogP 4.48, HBA 5, HBD 1, PSA 78.95, QED 0.61
Compound (SMILES): C[C@H]1CN(CC2CC2)CCN1C(=O)OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: ZIDJCKAKCGREPA-FMJDMSIASA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 6.1 nM (pChEMBL 8.210000038146973)
Descriptors: MW 608.15, ALogP 5.99, HBA 5, HBD 0, PSA 70.16, QED 0.39
Compound (SMILES): O=C(OC1([C@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIKey: VOQKFRKBIAKGJR-XZWHSSHBSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 8.5 nM (pChEMBL 8.069999694824219)
Descriptors: MW 685.19, ALogP 6, HBA 6, HBD 1, PSA 99.26, QED 0.34
Compound (SMILES): CN(c1ccccc1)C1CCN(C(=O)OC2(C3CCCC(c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIKey: RTDAILOKMDUKFG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 15.4 nM (pChEMBL 7.809999942779541)
Descriptors: MW 626.19, ALogP 7.03, HBA 5, HBD 0, PSA 70.16, QED 0.28
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(O)(C2CC2)CC1
InChIKey: CCEXTQUWIPKZIM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 3.7 nM (pChEMBL 8.430000305175781)
Descriptors: MW 577.12, ALogP 5.67, HBA 5, HBD 1, PSA 87.15, QED 0.48
Compound (SMILES): CCCC1(O)CCN(C(=O)OC2(C3CCCC(c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIKey: APDXGFXHWZTIAN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 4.5 nM (pChEMBL 8.350000381469727)
Descriptors: MW 579.13, ALogP 6.06, HBA 5, HBD 1, PSA 87.15, QED 0.43
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCC(F)(F)CC2)CC1
InChIKey: HSJXMFJMCVMAKI-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 2.3 nM (pChEMBL 8.640000343322754)
Descriptors: MW 640.17, ALogP 6.63, HBA 5, HBD 0, PSA 70.16, QED 0.36
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1C2CCC1CC(N1CCCCC1)C2
InChIKey: GAQORKDLFMWTDF-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 630.23, ALogP 6.91, HBA 5, HBD 0, PSA 70.16, QED 0.35
Compound (SMILES): CCC(CO)NC1CC2CCC(C1)N2C(=O)OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: XEAMFNQXXHLSLU-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 5.2 nM (pChEMBL 8.279999732971191)
Descriptors: MW 634.21, ALogP 5.79, HBA 6, HBD 2, PSA 99.18, QED 0.36
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1C2CCC1CC(N1CC[C@@H](O)C1)C2
InChIKey: AWDGOLBDZGNTFZ-PIXCRGMLSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 632.2, ALogP 5.49, HBA 6, HBD 1, PSA 90.39, QED 0.45
Compound (SMILES): CC1CN(C(=O)OC2(C3CCCC(c4cccc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC(C)N1
InChIKey: UTHMUINLECVICV-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 5.3 nM (pChEMBL 8.279999732971191)
Descriptors: MW 550.1, ALogP 5.12, HBA 5, HBD 1, PSA 78.95, QED 0.56
Compound (SMILES): O=C(OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1
InChIKey: IRYDPZOKPJBEFP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 566.1, ALogP 4.04, HBA 6, HBD 1, PSA 90.39, QED 0.54
Compound (SMILES): C[C@H]1CN(CCO)CCN1C(=O)OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: MFDZSGSRFDWNEW-WOEOTAOXSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 2.1 nM (pChEMBL 8.680000305175781)
Descriptors: MW 580.12, ALogP 4.43, HBA 6, HBD 1, PSA 90.39, QED 0.52
Compound (SMILES): C[C@H]1CN(C(C)(CO)CO)CCN1C(=O)OC1(C2CCCC(c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: RMMNMQOLNRMZRW-HTFLBPPUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 0.9 nM (pChEMBL 9.050000190734863)
Descriptors: MW 624.18, ALogP 4.18, HBA 7, HBD 2, PSA 110.62, QED 0.45
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCCCC2)CC1
InChIKey: HFCBNESMBVZUHP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 622.18, ALogP 6.52, HBA 5, HBD 0, PSA 70.16, QED 0.37
Compound (SMILES): C[C@H]1CNCCN1C(=O)OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIKey: MZLHBHJWAVLXBF-XWFFHEKESA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 16.8 nM (pChEMBL 7.78000020980835)
Descriptors: MW 554.06, ALogP 4.87, HBA 5, HBD 1, PSA 78.95, QED 0.57
Compound (SMILES): CC(C)N1CCN(C(=O)OC2(C3CCCC(c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIKey: QRUVSTZLYGAOFS-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 2.7 nM (pChEMBL 8.569999694824219)
Descriptors: MW 582.11, ALogP 5.6, HBA 5, HBD 0, PSA 70.16, QED 0.44
Compound (SMILES): CCN1CCN(C(=O)OC2(C3CCCC(c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIKey: BPHSGFNDDBHOCL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 1.1 nM (pChEMBL 8.960000038146973)
Descriptors: MW 568.09, ALogP 5.21, HBA 5, HBD 0, PSA 70.16, QED 0.48
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1
InChIKey: KKKLWLSGVSXCDO-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 584.09, ALogP 4.18, HBA 6, HBD 1, PSA 90.39, QED 0.53
Compound (SMILES): O=C(OC1(C2CCCC(c3cc(F)cc(F)c3)N2S(=O)(=O)c2cc(F)cc(F)c2)CC1)N1CCC(N2CCCCC2)CC1
InChIKey: SMFQFPRZNCDEKA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
Measurement: IC50 = 3.5 nM (pChEMBL 8.460000038146973)
Descriptors: MW 623.71, ALogP 6.15, HBA 5, HBD 0, PSA 70.16, QED 0.36