lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1c(Cl)cccc1C2)c1ccc(Cl)s1
InChIKey: RUNIZNWDLDTNRM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 175 nM (pChEMBL 6.760000228881836)
Descriptors: MW 402.37, ALogP 4.53, HBA 3, HBD 1, PSA 46.17, QED 0.82
Compound (SMILES): Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1
InChIKey: KCEFPNCBGLZQJB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 342.46, ALogP 2.74, HBA 3, HBD 2, PSA 72.19, QED 0.84
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1ccc(F)cc1
InChIKey: SJQFWIHYQZHNGO-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 129 nM (pChEMBL 6.889999866485596)
Descriptors: MW 345.44, ALogP 3.3, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)OCc1ccccc1Cl
InChIKey: GSOAWTOOTYUQSP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 153 nM (pChEMBL 6.820000171661377)
Descriptors: MW 511.04, ALogP 5.56, HBA 4, HBD 2, PSA 84.5, QED 0.45
Compound (SMILES): COCC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1
InChIKey: MGSKCMAFXTVVHJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 414.53, ALogP 2.74, HBA 4, HBD 2, PSA 84.5, QED 0.76
Compound (SMILES): CCN(CC)CC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: YDJACBDTHCTAMI-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 496.1, ALogP 4.15, HBA 5, HBD 2, PSA 78.51, QED 0.58
Compound (SMILES): Cc1ccc(S(=O)(=O)NC2C3CCC2Cc2ccccc2C3)cc1
InChIKey: NJNIRCPBSKTHSZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 651 nM (pChEMBL 6.190000057220459)
Descriptors: MW 341.48, ALogP 3.47, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): COc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: WSYRXWXFGAQLLI-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 490 nM (pChEMBL 6.309999942779541)
Descriptors: MW 397.95, ALogP 3.88, HBA 4, HBD 1, PSA 55.4, QED 0.85
Compound (SMILES): Cc1cccc(S(=O)(=O)NC2C3CCC2Cc2ccccc2C3)c1
InChIKey: DCXSADYXZSCRSQ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 341.48, ALogP 3.47, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1cccs1
InChIKey: IFPBWXNUXWIDSN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 333.48, ALogP 3.22, HBA 3, HBD 1, PSA 46.17, QED 0.94
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1cc(O)ccc1C2)c1ccc(Cl)s1
InChIKey: KYRRKJFDQDGKJW-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 269 nM (pChEMBL 6.570000171661377)
Descriptors: MW 383.92, ALogP 3.58, HBA 4, HBD 2, PSA 66.4, QED 0.85
Compound (SMILES): CCc1ccc(S(=O)(=O)NC2C3CCC2Cc2ccccc2C3)cc1
InChIKey: UXSIKYQTNHPCAO-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 355.5, ALogP 3.72, HBA 2, HBD 1, PSA 46.17, QED 0.91
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)c1ccccc1
InChIKey: IUKGSTWXUDSCOV-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 446.57, ALogP 4.41, HBA 3, HBD 2, PSA 75.27, QED 0.61
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)OCc1ccccc1
InChIKey: UDAWXCPADPCVBL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 74 nM (pChEMBL 7.130000114440918)
Descriptors: MW 476.6, ALogP 4.91, HBA 4, HBD 2, PSA 84.5, QED 0.53
Compound (SMILES): CN1CCN(CC(=O)Nc2ccc3c(c2)CC2CCC(C3)C2NS(=O)(=O)c2ccc(Cl)s2)CC1
InChIKey: UBWCFTVMEDMMPH-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 69 nM (pChEMBL 7.159999847412109)
Descriptors: MW 523.12, ALogP 3.06, HBA 6, HBD 2, PSA 81.75, QED 0.61
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1cc(Cl)c(Cl)s1
InChIKey: ZTUUNTGQZJTSDK-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 402.37, ALogP 4.53, HBA 3, HBD 1, PSA 46.17, QED 0.82
Compound (SMILES): O=[N+]([O-])c1ccc(S(=O)(=O)NC2C3CCC2Cc2ccccc2C3)cc1
InChIKey: OFYFKYBPGCROQN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 372.45, ALogP 3.07, HBA 4, HBD 1, PSA 89.31, QED 0.66
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1ccc(Cl)cc1
InChIKey: SFQFCLCHGLZBPQ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 467 nM (pChEMBL 6.329999923706055)
Descriptors: MW 361.89, ALogP 3.81, HBA 2, HBD 1, PSA 46.17, QED 0.9
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1)OCc1ccccc1
InChIKey: SWVXQUCEXDXWHP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 517.07, ALogP 5.62, HBA 5, HBD 2, PSA 84.5, QED 0.44
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)c1ccncc1
InChIKey: ZPTFWAOJOHQVHT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 447.56, ALogP 3.81, HBA 4, HBD 2, PSA 88.16, QED 0.62
Compound (SMILES): O=C(CNCc1ccccc1)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: BNKNOCFPPRFXQZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 3490 nM (pChEMBL 5.460000038146973)
Descriptors: MW 530.12, ALogP 4.6, HBA 5, HBD 3, PSA 87.3, QED 0.4
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1cc(OCCN3CCCCC3)ccc1C2)c1ccc(Cl)s1
InChIKey: SHGFOKQUEANRHO-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 73 nM (pChEMBL 7.139999866485596)
Descriptors: MW 495.11, ALogP 4.74, HBA 5, HBD 1, PSA 58.64, QED 0.6
Compound (SMILES): CC1CCCCN1CCOc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: RCIMAYJLHGXJSS-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 227 nM (pChEMBL 6.639999866485596)
Descriptors: MW 509.14, ALogP 5.13, HBA 5, HBD 1, PSA 58.64, QED 0.56
Compound (SMILES): O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: PFTCBIBMHGBWSG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 585.2, ALogP 4.63, HBA 6, HBD 2, PSA 81.75, QED 0.42
Compound (SMILES): CN(CC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1
InChIKey: CEJNNUYHMGALHW-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 226 nM (pChEMBL 6.650000095367432)
Descriptors: MW 544.14, ALogP 4.94, HBA 5, HBD 2, PSA 78.51, QED 0.42
Compound (SMILES): CC(C)(C)c1ccc(S(=O)(=O)NC2C3CCC2Cc2ccccc2C3)cc1
InChIKey: YHPXUPMIWAWXCL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 383.56, ALogP 4.46, HBA 2, HBD 1, PSA 46.17, QED 0.85
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1ccc(Cl)s1
InChIKey: DIGSRNGZVYWJEK-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 62 nM (pChEMBL 7.210000038146973)
Descriptors: MW 367.92, ALogP 3.87, HBA 3, HBD 1, PSA 46.17, QED 0.89
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1cc(F)ccc1C2)c1ccc(Cl)s1
InChIKey: WXZPJLSSIKLDLT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 385.91, ALogP 4.01, HBA 3, HBD 1, PSA 46.17, QED 0.87
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)c1cccnc1
InChIKey: SRQAGRRGQDGCLX-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 447.56, ALogP 3.81, HBA 4, HBD 2, PSA 88.16, QED 0.62
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)OCc1ccc(Cl)cc1
InChIKey: LNEQSINHSHRPJR-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 511.04, ALogP 5.56, HBA 4, HBD 2, PSA 84.5, QED 0.45
Compound (SMILES): CC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1
InChIKey: RNRCQICMAYSEFP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 384.5, ALogP 3.12, HBA 3, HBD 2, PSA 75.27, QED 0.85
Compound (SMILES): O=C(CN1CCCC1)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: JSKRBVNGOUHWRN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 494.08, ALogP 3.91, HBA 5, HBD 2, PSA 78.51, QED 0.64
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1ccc(C(F)(F)F)cc1
InChIKey: HOFKPENNKVTRGZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 395.45, ALogP 4.18, HBA 2, HBD 1, PSA 46.17, QED 0.85
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)c1ccccn1
InChIKey: ZPUMGYOKBMEWHV-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 75 nM (pChEMBL 7.119999885559082)
Descriptors: MW 447.56, ALogP 3.81, HBA 4, HBD 2, PSA 88.16, QED 0.62
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1cc(F)ccc1C2)c1ccccc1
InChIKey: JKETUMKQLRSDFG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 345.44, ALogP 3.3, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): CCCCCC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1
InChIKey: PAOADJVVXPZLFX-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 440.61, ALogP 4.68, HBA 3, HBD 2, PSA 75.27, QED 0.59
Compound (SMILES): O=C(CN1CCCCC1)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: BRINYKVTOUEAPK-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 508.11, ALogP 4.3, HBA 5, HBD 2, PSA 78.51, QED 0.61
Compound (SMILES): CCS(=O)(=O)NC1C2CCC1Cc1ccccc1C2
InChIKey: ASBCHZXIXQYRRH-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 279.4, ALogP 2.12, HBA 2, HBD 1, PSA 46.17, QED 0.92
Compound (SMILES): CCCS(=O)(=O)NC1C2CCC1Cc1ccccc1C2
InChIKey: RXNKZDVMZSFLFU-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 721 nM (pChEMBL 6.139999866485596)
Descriptors: MW 293.43, ALogP 2.51, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1c(F)cccc1C2)c1ccc(Cl)s1
InChIKey: YTBSSZLYKCFJCT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 385.91, ALogP 4.01, HBA 3, HBD 1, PSA 46.17, QED 0.87
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1ccccc1
InChIKey: XYPDHCSPIWHGSA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 327.45, ALogP 3.16, HBA 2, HBD 1, PSA 46.17, QED 0.94
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1ccccc1F
InChIKey: RQGIGJUEVCRXJW-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 239 nM (pChEMBL 6.619999885559082)
Descriptors: MW 345.44, ALogP 3.3, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1)c1ccccn1
InChIKey: IKDPHCOJIWPJEY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 488.03, ALogP 4.52, HBA 5, HBD 2, PSA 88.16, QED 0.55
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1cc(Cl)ccc1C2)c1ccc(Cl)s1
InChIKey: VTWUFVAKJVRFNV-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 146 nM (pChEMBL 6.840000152587891)
Descriptors: MW 402.37, ALogP 4.53, HBA 3, HBD 1, PSA 46.17, QED 0.82
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)OCc1cccc(Cl)c1
InChIKey: AMBNQJOUORUGOZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 412 nM (pChEMBL 6.380000114440918)
Descriptors: MW 511.04, ALogP 5.56, HBA 4, HBD 2, PSA 84.5, QED 0.45
Compound (SMILES): CC(C)CCCC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1
InChIKey: ICMGZHSYWRQGOU-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 535 nM (pChEMBL 6.269999980926514)
Descriptors: MW 454.64, ALogP 4.92, HBA 3, HBD 2, PSA 75.27, QED 0.59
Compound (SMILES): O=C(CN1CCOCC1)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: QUAXYWWCJLRJOY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 510.08, ALogP 3.14, HBA 6, HBD 2, PSA 87.74, QED 0.62
Compound (SMILES): CCCCS(=O)(=O)NC1C2CCC1Cc1ccccc1C2
InChIKey: SEHXOVIJDAJEGP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 610 nM (pChEMBL 6.210000038146973)
Descriptors: MW 307.46, ALogP 2.9, HBA 2, HBD 1, PSA 46.17, QED 0.91
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1cccc(F)c1
InChIKey: PGSBVVMYOINGNS-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 324 nM (pChEMBL 6.489999771118164)
Descriptors: MW 345.44, ALogP 3.3, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): CCCCCS(=O)(=O)NC1C2CCC1Cc1ccccc1C2
InChIKey: AECLXLSLLCUDPF-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 321.49, ALogP 3.29, HBA 2, HBD 1, PSA 46.17, QED 0.82
Compound (SMILES): O=C(CCc1ccccc1)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1
InChIKey: OXYNBUUUJHYSBF-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 474.63, ALogP 4.73, HBA 3, HBD 2, PSA 75.27, QED 0.52
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1c(Cl)cccc1C2)c1ccc(Cl)s1
InChIKey: RUNIZNWDLDTNRM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 175 nM (pChEMBL 6.760000228881836)
Descriptors: MW 402.37, ALogP 4.53, HBA 3, HBD 1, PSA 46.17, QED 0.82
Compound (SMILES): Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1
InChIKey: KCEFPNCBGLZQJB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 342.46, ALogP 2.74, HBA 3, HBD 2, PSA 72.19, QED 0.84
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1ccc(F)cc1
InChIKey: SJQFWIHYQZHNGO-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 129 nM (pChEMBL 6.889999866485596)
Descriptors: MW 345.44, ALogP 3.3, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)OCc1ccccc1Cl
InChIKey: GSOAWTOOTYUQSP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 153 nM (pChEMBL 6.820000171661377)
Descriptors: MW 511.04, ALogP 5.56, HBA 4, HBD 2, PSA 84.5, QED 0.45
Compound (SMILES): COCC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1
InChIKey: MGSKCMAFXTVVHJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 414.53, ALogP 2.74, HBA 4, HBD 2, PSA 84.5, QED 0.76
Compound (SMILES): CCN(CC)CC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: YDJACBDTHCTAMI-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 496.1, ALogP 4.15, HBA 5, HBD 2, PSA 78.51, QED 0.58
Compound (SMILES): Cc1ccc(S(=O)(=O)NC2C3CCC2Cc2ccccc2C3)cc1
InChIKey: NJNIRCPBSKTHSZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 651 nM (pChEMBL 6.190000057220459)
Descriptors: MW 341.48, ALogP 3.47, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): COc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: WSYRXWXFGAQLLI-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 490 nM (pChEMBL 6.309999942779541)
Descriptors: MW 397.95, ALogP 3.88, HBA 4, HBD 1, PSA 55.4, QED 0.85
Compound (SMILES): Cc1cccc(S(=O)(=O)NC2C3CCC2Cc2ccccc2C3)c1
InChIKey: DCXSADYXZSCRSQ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 341.48, ALogP 3.47, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1cccs1
InChIKey: IFPBWXNUXWIDSN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 333.48, ALogP 3.22, HBA 3, HBD 1, PSA 46.17, QED 0.94
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1cc(O)ccc1C2)c1ccc(Cl)s1
InChIKey: KYRRKJFDQDGKJW-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 269 nM (pChEMBL 6.570000171661377)
Descriptors: MW 383.92, ALogP 3.58, HBA 4, HBD 2, PSA 66.4, QED 0.85
Compound (SMILES): CCc1ccc(S(=O)(=O)NC2C3CCC2Cc2ccccc2C3)cc1
InChIKey: UXSIKYQTNHPCAO-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 355.5, ALogP 3.72, HBA 2, HBD 1, PSA 46.17, QED 0.91
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)c1ccccc1
InChIKey: IUKGSTWXUDSCOV-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 446.57, ALogP 4.41, HBA 3, HBD 2, PSA 75.27, QED 0.61
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)OCc1ccccc1
InChIKey: UDAWXCPADPCVBL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 74 nM (pChEMBL 7.130000114440918)
Descriptors: MW 476.6, ALogP 4.91, HBA 4, HBD 2, PSA 84.5, QED 0.53
Compound (SMILES): CN1CCN(CC(=O)Nc2ccc3c(c2)CC2CCC(C3)C2NS(=O)(=O)c2ccc(Cl)s2)CC1
InChIKey: UBWCFTVMEDMMPH-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 69 nM (pChEMBL 7.159999847412109)
Descriptors: MW 523.12, ALogP 3.06, HBA 6, HBD 2, PSA 81.75, QED 0.61
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1cc(Cl)c(Cl)s1
InChIKey: ZTUUNTGQZJTSDK-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 402.37, ALogP 4.53, HBA 3, HBD 1, PSA 46.17, QED 0.82
Compound (SMILES): O=[N+]([O-])c1ccc(S(=O)(=O)NC2C3CCC2Cc2ccccc2C3)cc1
InChIKey: OFYFKYBPGCROQN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 372.45, ALogP 3.07, HBA 4, HBD 1, PSA 89.31, QED 0.66
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1ccc(Cl)cc1
InChIKey: SFQFCLCHGLZBPQ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 467 nM (pChEMBL 6.329999923706055)
Descriptors: MW 361.89, ALogP 3.81, HBA 2, HBD 1, PSA 46.17, QED 0.9
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1)OCc1ccccc1
InChIKey: SWVXQUCEXDXWHP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 517.07, ALogP 5.62, HBA 5, HBD 2, PSA 84.5, QED 0.44
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)c1ccncc1
InChIKey: ZPTFWAOJOHQVHT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 447.56, ALogP 3.81, HBA 4, HBD 2, PSA 88.16, QED 0.62
Compound (SMILES): O=C(CNCc1ccccc1)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: BNKNOCFPPRFXQZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 3490 nM (pChEMBL 5.460000038146973)
Descriptors: MW 530.12, ALogP 4.6, HBA 5, HBD 3, PSA 87.3, QED 0.4
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1cc(OCCN3CCCCC3)ccc1C2)c1ccc(Cl)s1
InChIKey: SHGFOKQUEANRHO-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 73 nM (pChEMBL 7.139999866485596)
Descriptors: MW 495.11, ALogP 4.74, HBA 5, HBD 1, PSA 58.64, QED 0.6
Compound (SMILES): CC1CCCCN1CCOc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: RCIMAYJLHGXJSS-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 227 nM (pChEMBL 6.639999866485596)
Descriptors: MW 509.14, ALogP 5.13, HBA 5, HBD 1, PSA 58.64, QED 0.56
Compound (SMILES): O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: PFTCBIBMHGBWSG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 585.2, ALogP 4.63, HBA 6, HBD 2, PSA 81.75, QED 0.42
Compound (SMILES): CN(CC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1
InChIKey: CEJNNUYHMGALHW-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 226 nM (pChEMBL 6.650000095367432)
Descriptors: MW 544.14, ALogP 4.94, HBA 5, HBD 2, PSA 78.51, QED 0.42
Compound (SMILES): CC(C)(C)c1ccc(S(=O)(=O)NC2C3CCC2Cc2ccccc2C3)cc1
InChIKey: YHPXUPMIWAWXCL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 383.56, ALogP 4.46, HBA 2, HBD 1, PSA 46.17, QED 0.85
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1ccc(Cl)s1
InChIKey: DIGSRNGZVYWJEK-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 62 nM (pChEMBL 7.210000038146973)
Descriptors: MW 367.92, ALogP 3.87, HBA 3, HBD 1, PSA 46.17, QED 0.89
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1cc(F)ccc1C2)c1ccc(Cl)s1
InChIKey: WXZPJLSSIKLDLT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 385.91, ALogP 4.01, HBA 3, HBD 1, PSA 46.17, QED 0.87
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)c1cccnc1
InChIKey: SRQAGRRGQDGCLX-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 447.56, ALogP 3.81, HBA 4, HBD 2, PSA 88.16, QED 0.62
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)OCc1ccc(Cl)cc1
InChIKey: LNEQSINHSHRPJR-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 511.04, ALogP 5.56, HBA 4, HBD 2, PSA 84.5, QED 0.45
Compound (SMILES): CC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1
InChIKey: RNRCQICMAYSEFP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 384.5, ALogP 3.12, HBA 3, HBD 2, PSA 75.27, QED 0.85
Compound (SMILES): O=C(CN1CCCC1)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: JSKRBVNGOUHWRN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 494.08, ALogP 3.91, HBA 5, HBD 2, PSA 78.51, QED 0.64
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1ccc(C(F)(F)F)cc1
InChIKey: HOFKPENNKVTRGZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 395.45, ALogP 4.18, HBA 2, HBD 1, PSA 46.17, QED 0.85
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)c1ccccn1
InChIKey: ZPUMGYOKBMEWHV-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 75 nM (pChEMBL 7.119999885559082)
Descriptors: MW 447.56, ALogP 3.81, HBA 4, HBD 2, PSA 88.16, QED 0.62
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1cc(F)ccc1C2)c1ccccc1
InChIKey: JKETUMKQLRSDFG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 345.44, ALogP 3.3, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): CCCCCC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1
InChIKey: PAOADJVVXPZLFX-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 440.61, ALogP 4.68, HBA 3, HBD 2, PSA 75.27, QED 0.59
Compound (SMILES): O=C(CN1CCCCC1)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: BRINYKVTOUEAPK-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 508.11, ALogP 4.3, HBA 5, HBD 2, PSA 78.51, QED 0.61
Compound (SMILES): CCS(=O)(=O)NC1C2CCC1Cc1ccccc1C2
InChIKey: ASBCHZXIXQYRRH-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 279.4, ALogP 2.12, HBA 2, HBD 1, PSA 46.17, QED 0.92
Compound (SMILES): CCCS(=O)(=O)NC1C2CCC1Cc1ccccc1C2
InChIKey: RXNKZDVMZSFLFU-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 721 nM (pChEMBL 6.139999866485596)
Descriptors: MW 293.43, ALogP 2.51, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1c(F)cccc1C2)c1ccc(Cl)s1
InChIKey: YTBSSZLYKCFJCT-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 385.91, ALogP 4.01, HBA 3, HBD 1, PSA 46.17, QED 0.87
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1ccccc1
InChIKey: XYPDHCSPIWHGSA-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 327.45, ALogP 3.16, HBA 2, HBD 1, PSA 46.17, QED 0.94
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1ccccc1F
InChIKey: RQGIGJUEVCRXJW-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 239 nM (pChEMBL 6.619999885559082)
Descriptors: MW 345.44, ALogP 3.3, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1)c1ccccn1
InChIKey: IKDPHCOJIWPJEY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 488.03, ALogP 4.52, HBA 5, HBD 2, PSA 88.16, QED 0.55
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1cc(Cl)ccc1C2)c1ccc(Cl)s1
InChIKey: VTWUFVAKJVRFNV-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 146 nM (pChEMBL 6.840000152587891)
Descriptors: MW 402.37, ALogP 4.53, HBA 3, HBD 1, PSA 46.17, QED 0.82
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)OCc1cccc(Cl)c1
InChIKey: AMBNQJOUORUGOZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 412 nM (pChEMBL 6.380000114440918)
Descriptors: MW 511.04, ALogP 5.56, HBA 4, HBD 2, PSA 84.5, QED 0.45
Compound (SMILES): CC(C)CCCC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1
InChIKey: ICMGZHSYWRQGOU-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 535 nM (pChEMBL 6.269999980926514)
Descriptors: MW 454.64, ALogP 4.92, HBA 3, HBD 2, PSA 75.27, QED 0.59
Compound (SMILES): O=C(CN1CCOCC1)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: QUAXYWWCJLRJOY-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 510.08, ALogP 3.14, HBA 6, HBD 2, PSA 87.74, QED 0.62
Compound (SMILES): CCCCS(=O)(=O)NC1C2CCC1Cc1ccccc1C2
InChIKey: SEHXOVIJDAJEGP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 610 nM (pChEMBL 6.210000038146973)
Descriptors: MW 307.46, ALogP 2.9, HBA 2, HBD 1, PSA 46.17, QED 0.91
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1cccc(F)c1
InChIKey: PGSBVVMYOINGNS-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 324 nM (pChEMBL 6.489999771118164)
Descriptors: MW 345.44, ALogP 3.3, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): CCCCCS(=O)(=O)NC1C2CCC1Cc1ccccc1C2
InChIKey: AECLXLSLLCUDPF-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 321.49, ALogP 3.29, HBA 2, HBD 1, PSA 46.17, QED 0.82
Compound (SMILES): O=C(CCc1ccccc1)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1
InChIKey: OXYNBUUUJHYSBF-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 474.63, ALogP 4.73, HBA 3, HBD 2, PSA 75.27, QED 0.52
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1c(Cl)cccc1C2)c1ccc(Cl)s1
InChIKey: RUNIZNWDLDTNRM-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 175 nM (pChEMBL 6.760000228881836)
Descriptors: MW 402.37, ALogP 4.53, HBA 3, HBD 1, PSA 46.17, QED 0.82
Compound (SMILES): Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1
InChIKey: KCEFPNCBGLZQJB-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 342.46, ALogP 2.74, HBA 3, HBD 2, PSA 72.19, QED 0.84
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1ccc(F)cc1
InChIKey: SJQFWIHYQZHNGO-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 129 nM (pChEMBL 6.889999866485596)
Descriptors: MW 345.44, ALogP 3.3, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)OCc1ccccc1Cl
InChIKey: GSOAWTOOTYUQSP-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 153 nM (pChEMBL 6.820000171661377)
Descriptors: MW 511.04, ALogP 5.56, HBA 4, HBD 2, PSA 84.5, QED 0.45
Compound (SMILES): COCC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1
InChIKey: MGSKCMAFXTVVHJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 414.53, ALogP 2.74, HBA 4, HBD 2, PSA 84.5, QED 0.76
Compound (SMILES): CCN(CC)CC(=O)Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: YDJACBDTHCTAMI-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 496.1, ALogP 4.15, HBA 5, HBD 2, PSA 78.51, QED 0.58
Compound (SMILES): Cc1ccc(S(=O)(=O)NC2C3CCC2Cc2ccccc2C3)cc1
InChIKey: NJNIRCPBSKTHSZ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 651 nM (pChEMBL 6.190000057220459)
Descriptors: MW 341.48, ALogP 3.47, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): COc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: WSYRXWXFGAQLLI-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 490 nM (pChEMBL 6.309999942779541)
Descriptors: MW 397.95, ALogP 3.88, HBA 4, HBD 1, PSA 55.4, QED 0.85
Compound (SMILES): Cc1cccc(S(=O)(=O)NC2C3CCC2Cc2ccccc2C3)c1
InChIKey: DCXSADYXZSCRSQ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 341.48, ALogP 3.47, HBA 2, HBD 1, PSA 46.17, QED 0.93
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1cccs1
InChIKey: IFPBWXNUXWIDSN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 333.48, ALogP 3.22, HBA 3, HBD 1, PSA 46.17, QED 0.94
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1cc(O)ccc1C2)c1ccc(Cl)s1
InChIKey: KYRRKJFDQDGKJW-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 269 nM (pChEMBL 6.570000171661377)
Descriptors: MW 383.92, ALogP 3.58, HBA 4, HBD 2, PSA 66.4, QED 0.85
Compound (SMILES): CCc1ccc(S(=O)(=O)NC2C3CCC2Cc2ccccc2C3)cc1
InChIKey: UXSIKYQTNHPCAO-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 355.5, ALogP 3.72, HBA 2, HBD 1, PSA 46.17, QED 0.91
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)c1ccccc1
InChIKey: IUKGSTWXUDSCOV-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 446.57, ALogP 4.41, HBA 3, HBD 2, PSA 75.27, QED 0.61
Compound (SMILES): O=C(Nc1ccc2c(c1)CC1CCC(C2)C1NS(=O)(=O)c1ccccc1)OCc1ccccc1
InChIKey: UDAWXCPADPCVBL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 74 nM (pChEMBL 7.130000114440918)
Descriptors: MW 476.6, ALogP 4.91, HBA 4, HBD 2, PSA 84.5, QED 0.53
Compound (SMILES): CN1CCN(CC(=O)Nc2ccc3c(c2)CC2CCC(C3)C2NS(=O)(=O)c2ccc(Cl)s2)CC1
InChIKey: UBWCFTVMEDMMPH-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 69 nM (pChEMBL 7.159999847412109)
Descriptors: MW 523.12, ALogP 3.06, HBA 6, HBD 2, PSA 81.75, QED 0.61
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1cc(Cl)c(Cl)s1
InChIKey: ZTUUNTGQZJTSDK-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 402.37, ALogP 4.53, HBA 3, HBD 1, PSA 46.17, QED 0.82
Compound (SMILES): O=[N+]([O-])c1ccc(S(=O)(=O)NC2C3CCC2Cc2ccccc2C3)cc1
InChIKey: OFYFKYBPGCROQN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 372.45, ALogP 3.07, HBA 4, HBD 1, PSA 89.31, QED 0.66
Compound (SMILES): O=S(=O)(NC1C2CCC1Cc1ccccc1C2)c1ccc(Cl)cc1
InChIKey: SFQFCLCHGLZBPQ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
Measurement: IC50 = 467 nM (pChEMBL 6.329999923706055)
Descriptors: MW 361.89, ALogP 3.81, HBA 2, HBD 1, PSA 46.17, QED 0.9