lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(C2CC2)c2cn[nH]c21
InChIKey: JFPODFASUGTOCL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 5995 nM (pChEMBL 5.21999979019165)
Descriptors: MW 386.36, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@@H]1c2cn[nH]c2C(=O)[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: RSEQEACXQZGJOR-SFYZADRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 1099 nM (pChEMBL 5.960000038146973)
Descriptors: MW 374.34, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@@H]1C(=O)c2[nH]ncc2[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: RSEQEACXQZGJOR-JGVFFNPUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 374.34, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@H]1C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: XZLCDDOEJVNWHE-RMLUDKJBSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 400.38, ALogP 2.55, HBA 5, HBD 1, PSA 96.02, QED 0.85
Compound (SMILES): O=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1c1cc(F)cc(F)c1
InChIKey: LFHYCKJJQVXMBN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 4000 nM (pChEMBL 5.400000095367432)
Descriptors: MW 498.43, ALogP 4.18, HBA 5, HBD 1, PSA 96.02, QED 0.54
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: KTCZUFKYOCWWRZ-NEPJUHHUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 402.4, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.85
Compound (SMILES): O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H]1C1CC1
InChIKey: LWOGRYWBSQJZQD-CVEARBPZSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 426.42, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.81
Compound (SMILES): CC(=O)O[C@H]1CC[C@]2(C=O)[C@H](CC[C@@]3(C)[C@H]2C=C(C)[C@@]2(C)C(O)=C(C)C(=O)[C@]23C(=O)O)C1(C)C
InChIKey: WHEUASZRONOMDR-OPQRMKJOSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q04631
Assay: Inhibition of Farnesyltransferase
Measurement: IC50 = 24900 nM (pChEMBL 4.599999904632568)
Descriptors: MW 472.58, ALogP 4.41, HBA 6, HBD 2, PSA 117.97, QED 0.27
Compound (SMILES): CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C=C(C)[C@@]2(C)C(O)=C(C)C(=O)[C@]23C(=O)O)C1(C)C
InChIKey: LBBHTACWNVOYKN-SNQWNFAUSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q04631
Assay: Inhibition of Farnesyltransferase
Measurement: IC50 = 13300 nM (pChEMBL 4.880000114440918)
Descriptors: MW 458.6, ALogP 5.23, HBA 5, HBD 2, PSA 100.9, QED 0.33
Compound (SMILES): CC(=O)O[C@H]1CC[C@]2(CO)[C@H](CC[C@@]3(C)[C@H]2C=C(C)[C@@]2(C)C(O)=C(C)C(=O)[C@]23C(=O)O)C1(C)C
InChIKey: WERWVDPSONCKER-OPQRMKJOSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Rattus norvegicus
UniProt: Q04631
Assay: Inhibition of Farnesyltransferase
Measurement: IC50 = 47100 nM (pChEMBL 4.329999923706055)
Descriptors: MW 474.59, ALogP 4.2, HBA 6, HBD 3, PSA 121.13, QED 0.32
Compound (SMILES): CC(C)=CCC/C(C)=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)C(C)(C)C
InChIKey: UEAFSQXNJOKNMX-ADPXBSPTSA-N
Target: Protein farnesyltransferase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49356
Assay: Inhibition of recombinant farnesyltransferase (mFTase) in scintillation proximity assay
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 424.41, ALogP 5.66, HBA 4, HBD 3, PSA 113.29, QED 0.29
Compound (SMILES): CSc1cnccc1C(=O)Nc1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)O)cc1
InChIKey: UNKOTAZGQDRZGB-FIPFOOKPSA-N
Target: Integrin alpha-4/beta-1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P13612
Assay: Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of Mn2+
Measurement: IC50 = 0.36 nM (pChEMBL 9.4399995803833)
Descriptors: MW 651.59, ALogP 4.72, HBA 7, HBD 3, PSA 145.77, QED 0.27
Compound (SMILES): COc1ccc(-c2cccc(NC(=O)Nc3nc4ccccc4[nH]3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)O)c1ccccc1
InChIKey: DKCBOEVMYBPSHB-VWLOTQADSA-N
Target: Integrin alpha-V/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Displacement of 125-I echistatin from Vitronectin receptor (alpha v beta3)
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 585.64, ALogP 5.38, HBA 6, HBD 5, PSA 162.51, QED 0.15
Compound (SMILES): COc1ccc(-c2cccc(NC(=O)Nc3nc4ccccc4[nH]3)c2)cc1S(=O)(=O)N[C@H](CC(=O)O)c1ccccc1
InChIKey: DKCBOEVMYBPSHB-RUZDIDTESA-N
Target: Integrin alpha-V/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Displacement of 125-I echistatin from Vitronectin receptor (alpha v beta3)
Measurement: Ki = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 585.64, ALogP 5.38, HBA 6, HBD 5, PSA 162.51, QED 0.15
Compound (SMILES): CC[C@@H]1C(=O)c2[nH]ncc2[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: TYZNGDLYLRYJCS-UONOGXRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 546 nM (pChEMBL 6.260000228881836)
Descriptors: MW 367.86, ALogP 3.18, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: TYZNGDLYLRYJCS-KGLIPLIRSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 288 nM (pChEMBL 6.539999961853027)
Descriptors: MW 367.86, ALogP 3.18, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): CC(C)[C@@H]1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: NEUBWALUOOQMFO-OAHLLOKOSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 353.83, ALogP 2.65, HBA 4, HBD 1, PSA 83.13, QED 0.92
Compound (SMILES): CC1C(=O)c2[nH]ncc2C(C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: MXCHFWLKPVDOPC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 373.36, ALogP 2.77, HBA 4, HBD 1, PSA 83.13, QED 0.88
Compound (SMILES): CC1C(=O)c2[nH]ncc2C(C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: OFWZIXOHGWMONG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 399.39, ALogP 3.16, HBA 4, HBD 1, PSA 83.13, QED 0.86
Compound (SMILES): CC(C)[C@H]1C(=O)c2[nH]ncc2[C@@H](C(C)C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: OPEFYDWQQPVVGM-SJORKVTESA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 2302 nM (pChEMBL 5.639999866485596)
Descriptors: MW 429.46, ALogP 4.04, HBA 4, HBD 1, PSA 83.13, QED 0.8
Compound (SMILES): O=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1C1CC1
InChIKey: XBZGUMRHZRKIKL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 2792 nM (pChEMBL 5.550000190734863)
Descriptors: MW 425.43, ALogP 3.55, HBA 4, HBD 1, PSA 83.13, QED 0.81
Compound (SMILES): O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(C2CC2)c2cn[nH]c21
InChIKey: JFPODFASUGTOCL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 386.36, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@@H]1c2cn[nH]c2C(=O)[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: RSEQEACXQZGJOR-SFYZADRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 18334 nM (pChEMBL 4.739999771118164)
Descriptors: MW 374.34, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccccc2)nn1
InChIKey: GJYSEBOVCLZXAI-KBPBESRZSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P12390
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR transfected in HEK293 cells by liquid scintillation counting
Measurement: Ki > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 266.35, ALogP 2.04, HBA 4, HBD 0, PSA 32.26, QED 0.83
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: KTCZUFKYOCWWRZ-NEPJUHHUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 2361 nM (pChEMBL 5.630000114440918)
Descriptors: MW 402.4, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.85
Compound (SMILES): O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H]1C1CC1
InChIKey: LWOGRYWBSQJZQD-CVEARBPZSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 6704 nM (pChEMBL 5.170000076293945)
Descriptors: MW 426.42, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.81
Compound (SMILES): CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@H](O)CCCCCCCCCC(O)CC3=CC(C)OC3=O)O2)O1
InChIKey: PJQMINRIJUCTIZ-FKONRUPGSA-N
Target: Mitochondrial complex I; NADH oxidoreductase (PROTEIN COMPLEX), Bos taurus
UniProt: P25708
Assay: Inhibition of complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles.
Measurement: IC50 = 0.9 nM (pChEMBL 9.050000190734863)
Descriptors: MW 608.9, ALogP 7.47, HBA 7, HBD 3, PSA 105.45, QED 0.08
Compound (SMILES): CC(C)=CCC/C(C)=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)C(C)(C)C
InChIKey: UEAFSQXNJOKNMX-ADPXBSPTSA-N
Target: Geranylgeranyl transferase type I (PROTEIN COMPLEX), Homo sapiens
UniProt: P49354
Assay: Inhibition of recombinant Geranylgeranyl transferase type I in scintillation proximity assay
Measurement: IC50 = 50000 nM (pChEMBL 4.300000190734863)
Descriptors: MW 424.41, ALogP 5.66, HBA 4, HBD 3, PSA 113.29, QED 0.29
Compound (SMILES): CSc1cnccc1C(=O)Nc1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)O)cc1
InChIKey: UNKOTAZGQDRZGB-FIPFOOKPSA-N
Target: Integrin alpha-4/beta-1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P13612
Assay: Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of [Ca2+]
Measurement: IC50 = 1.56 nM (pChEMBL 8.8100004196167)
Descriptors: MW 651.59, ALogP 4.72, HBA 7, HBD 3, PSA 145.77, QED 0.27
Compound (SMILES): CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccccc2)nn1
InChIKey: GJYSEBOVCLZXAI-KBPBESRZSA-N
Target: Neuronal acetylcholine receptor; alpha3/beta4 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P12392
Assay: Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells by liquid scintillation counting
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 266.35, ALogP 2.04, HBA 4, HBD 0, PSA 32.26, QED 0.83
Compound (SMILES): CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@H](O)CCCCCCCCCC(O)CC3=CC(C)OC3=O)O2)O1
InChIKey: PJQMINRIJUCTIZ-FKONRUPGSA-N
Target: Mitochondrial complex I; NADH oxidoreductase (PROTEIN COMPLEX), Bos taurus
UniProt: P25708
Assay: Inhibition of NADH oxidase activity.
Measurement: IC50 = 0.51 nM (pChEMBL 9.289999961853027)
Descriptors: MW 608.9, ALogP 7.47, HBA 7, HBD 3, PSA 105.45, QED 0.08
Compound (SMILES): CSc1cnccc1C(=O)Nc1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)O)cc1
InChIKey: UNKOTAZGQDRZGB-FIPFOOKPSA-N
Target: Integrin alpha-4/beta-1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P13612
Assay: Inhibition of VLA-4 binding in Jurkat cells in the presence of Mg2+
Measurement: IC50 = 1.56 nM (pChEMBL 8.8100004196167)
Descriptors: MW 651.59, ALogP 4.72, HBA 7, HBD 3, PSA 145.77, QED 0.27
Compound (SMILES): O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O
InChIKey: WNBYTJKDDLUPCV-KQYNXXCUSA-N
Target: P2X2/P2X3 heterotrimeric receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P56373
Assay: Agonist activity at human P2X2R/P2X3R expressing CHO cells assessed as reduction in intracellular Ca2+ influx pretreated with Fluo-4 for 1 hr followed by compound addition and further incubated for 30 mins in presence of ATP by multimode plate reader analysis
Measurement: IC50 = 128.82 nM (pChEMBL 6.889999866485596)
Descriptors: MW 526.61, ALogP -0.56, HBA 13, HBD 6, PSA 253.11, QED 0.19
Compound (SMILES): CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccccc2)nn1
InChIKey: GJYSEBOVCLZXAI-KBPBESRZSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P12390
Assay: Displacement of [3H]cytisine from alpha4beta2 nACHR in rat brain homogenate
Measurement: Ki = 12700 nM (pChEMBL 4.900000095367432)
Descriptors: MW 266.35, ALogP 2.04, HBA 4, HBD 0, PSA 32.26, QED 0.83
Compound (SMILES): CC[C@@H]1C(=O)c2[nH]ncc2[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: TYZNGDLYLRYJCS-UONOGXRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 367.86, ALogP 3.18, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: TYZNGDLYLRYJCS-KGLIPLIRSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 367.86, ALogP 3.18, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): CC(C)[C@@H]1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: NEUBWALUOOQMFO-OAHLLOKOSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 3999 nM (pChEMBL 5.400000095367432)
Descriptors: MW 353.83, ALogP 2.65, HBA 4, HBD 1, PSA 83.13, QED 0.92
Compound (SMILES): CCC1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: INJZOGFTQYTLTF-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 373.36, ALogP 2.77, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@H](C2CC2)c2cn[nH]c21
InChIKey: GGLJIWWAQROXNZ-OAHLLOKOSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 385.37, ALogP 2.77, HBA 4, HBD 1, PSA 83.13, QED 0.88
Compound (SMILES): O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C(C(F)(F)F)c2cn[nH]c21
InChIKey: NUEKVEDFVHGFEJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 413.3, ALogP 2.92, HBA 4, HBD 1, PSA 83.13, QED 0.77
Compound (SMILES): CC1C(=O)c2[nH]ncc2C(C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: MXCHFWLKPVDOPC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 5106 nM (pChEMBL 5.289999961853027)
Descriptors: MW 373.36, ALogP 2.77, HBA 4, HBD 1, PSA 83.13, QED 0.88
Compound (SMILES): CC1C(=O)c2[nH]ncc2C(C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: OFWZIXOHGWMONG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 2335 nM (pChEMBL 5.630000114440918)
Descriptors: MW 399.39, ALogP 3.16, HBA 4, HBD 1, PSA 83.13, QED 0.86
Compound (SMILES): CC(C)[C@H]1C(=O)c2[nH]ncc2[C@@H](C(C)C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: OPEFYDWQQPVVGM-SJORKVTESA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 429.46, ALogP 4.04, HBA 4, HBD 1, PSA 83.13, QED 0.8
Compound (SMILES): O=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1C1CC1
InChIKey: XBZGUMRHZRKIKL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 425.43, ALogP 3.55, HBA 4, HBD 1, PSA 83.13, QED 0.81
Compound (SMILES): COC[C@H]1C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: FQLKSOWAKJHXNY-GOEBONIOSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 429.42, ALogP 2.78, HBA 5, HBD 1, PSA 92.36, QED 0.79
Compound (SMILES): O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(C2CC2)c2cn[nH]c21
InChIKey: JFPODFASUGTOCL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 5995 nM (pChEMBL 5.21999979019165)
Descriptors: MW 386.36, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@@H]1c2cn[nH]c2C(=O)[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: RSEQEACXQZGJOR-SFYZADRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 1099 nM (pChEMBL 5.960000038146973)
Descriptors: MW 374.34, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@@H]1C(=O)c2[nH]ncc2[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: RSEQEACXQZGJOR-JGVFFNPUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 374.34, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@H]1C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: XZLCDDOEJVNWHE-RMLUDKJBSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 400.38, ALogP 2.55, HBA 5, HBD 1, PSA 96.02, QED 0.85
Compound (SMILES): O=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1c1cc(F)cc(F)c1
InChIKey: LFHYCKJJQVXMBN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 4000 nM (pChEMBL 5.400000095367432)
Descriptors: MW 498.43, ALogP 4.18, HBA 5, HBD 1, PSA 96.02, QED 0.54
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: KTCZUFKYOCWWRZ-NEPJUHHUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 402.4, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.85
Compound (SMILES): O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H]1C1CC1
InChIKey: LWOGRYWBSQJZQD-CVEARBPZSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 426.42, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.81
Compound (SMILES): CC[C@@H]1C(=O)c2[nH]ncc2[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: TYZNGDLYLRYJCS-UONOGXRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 546 nM (pChEMBL 6.260000228881836)
Descriptors: MW 367.86, ALogP 3.18, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: TYZNGDLYLRYJCS-KGLIPLIRSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 288 nM (pChEMBL 6.539999961853027)
Descriptors: MW 367.86, ALogP 3.18, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): CC(C)[C@@H]1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: NEUBWALUOOQMFO-OAHLLOKOSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 353.83, ALogP 2.65, HBA 4, HBD 1, PSA 83.13, QED 0.92
Compound (SMILES): CC1C(=O)c2[nH]ncc2C(C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: MXCHFWLKPVDOPC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 373.36, ALogP 2.77, HBA 4, HBD 1, PSA 83.13, QED 0.88
Compound (SMILES): CC1C(=O)c2[nH]ncc2C(C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: OFWZIXOHGWMONG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 399.39, ALogP 3.16, HBA 4, HBD 1, PSA 83.13, QED 0.86
Compound (SMILES): CC(C)[C@H]1C(=O)c2[nH]ncc2[C@@H](C(C)C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: OPEFYDWQQPVVGM-SJORKVTESA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 2302 nM (pChEMBL 5.639999866485596)
Descriptors: MW 429.46, ALogP 4.04, HBA 4, HBD 1, PSA 83.13, QED 0.8
Compound (SMILES): O=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1C1CC1
InChIKey: XBZGUMRHZRKIKL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 2792 nM (pChEMBL 5.550000190734863)
Descriptors: MW 425.43, ALogP 3.55, HBA 4, HBD 1, PSA 83.13, QED 0.81
Compound (SMILES): O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(C2CC2)c2cn[nH]c21
InChIKey: JFPODFASUGTOCL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 386.36, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@@H]1c2cn[nH]c2C(=O)[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: RSEQEACXQZGJOR-SFYZADRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 18334 nM (pChEMBL 4.739999771118164)
Descriptors: MW 374.34, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: KTCZUFKYOCWWRZ-NEPJUHHUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 2361 nM (pChEMBL 5.630000114440918)
Descriptors: MW 402.4, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.85
Compound (SMILES): O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H]1C1CC1
InChIKey: LWOGRYWBSQJZQD-CVEARBPZSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 6704 nM (pChEMBL 5.170000076293945)
Descriptors: MW 426.42, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.81
Compound (SMILES): CC[C@@H]1C(=O)c2[nH]ncc2[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: TYZNGDLYLRYJCS-UONOGXRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 367.86, ALogP 3.18, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: TYZNGDLYLRYJCS-KGLIPLIRSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 367.86, ALogP 3.18, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): CC(C)[C@@H]1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: NEUBWALUOOQMFO-OAHLLOKOSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 3999 nM (pChEMBL 5.400000095367432)
Descriptors: MW 353.83, ALogP 2.65, HBA 4, HBD 1, PSA 83.13, QED 0.92
Compound (SMILES): CCC1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: INJZOGFTQYTLTF-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 373.36, ALogP 2.77, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@H](C2CC2)c2cn[nH]c21
InChIKey: GGLJIWWAQROXNZ-OAHLLOKOSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 385.37, ALogP 2.77, HBA 4, HBD 1, PSA 83.13, QED 0.88
Compound (SMILES): O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C(C(F)(F)F)c2cn[nH]c21
InChIKey: NUEKVEDFVHGFEJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 413.3, ALogP 2.92, HBA 4, HBD 1, PSA 83.13, QED 0.77
Compound (SMILES): CC1C(=O)c2[nH]ncc2C(C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: MXCHFWLKPVDOPC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 5106 nM (pChEMBL 5.289999961853027)
Descriptors: MW 373.36, ALogP 2.77, HBA 4, HBD 1, PSA 83.13, QED 0.88
Compound (SMILES): CC1C(=O)c2[nH]ncc2C(C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: OFWZIXOHGWMONG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 2335 nM (pChEMBL 5.630000114440918)
Descriptors: MW 399.39, ALogP 3.16, HBA 4, HBD 1, PSA 83.13, QED 0.86
Compound (SMILES): CC(C)[C@H]1C(=O)c2[nH]ncc2[C@@H](C(C)C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: OPEFYDWQQPVVGM-SJORKVTESA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 429.46, ALogP 4.04, HBA 4, HBD 1, PSA 83.13, QED 0.8
Compound (SMILES): O=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1C1CC1
InChIKey: XBZGUMRHZRKIKL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 425.43, ALogP 3.55, HBA 4, HBD 1, PSA 83.13, QED 0.81
Compound (SMILES): COC[C@H]1C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: FQLKSOWAKJHXNY-GOEBONIOSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 429.42, ALogP 2.78, HBA 5, HBD 1, PSA 92.36, QED 0.79
Compound (SMILES): O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(C2CC2)c2cn[nH]c21
InChIKey: JFPODFASUGTOCL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 5995 nM (pChEMBL 5.21999979019165)
Descriptors: MW 386.36, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@@H]1c2cn[nH]c2C(=O)[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: RSEQEACXQZGJOR-SFYZADRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 1099 nM (pChEMBL 5.960000038146973)
Descriptors: MW 374.34, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@@H]1C(=O)c2[nH]ncc2[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: RSEQEACXQZGJOR-JGVFFNPUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 374.34, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@H]1C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: XZLCDDOEJVNWHE-RMLUDKJBSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 400.38, ALogP 2.55, HBA 5, HBD 1, PSA 96.02, QED 0.85
Compound (SMILES): O=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1c1cc(F)cc(F)c1
InChIKey: LFHYCKJJQVXMBN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 4000 nM (pChEMBL 5.400000095367432)
Descriptors: MW 498.43, ALogP 4.18, HBA 5, HBD 1, PSA 96.02, QED 0.54
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: KTCZUFKYOCWWRZ-NEPJUHHUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 402.4, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.85
Compound (SMILES): O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H]1C1CC1
InChIKey: LWOGRYWBSQJZQD-CVEARBPZSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 426.42, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.81
Compound (SMILES): CC[C@@H]1C(=O)c2[nH]ncc2[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: TYZNGDLYLRYJCS-UONOGXRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 546 nM (pChEMBL 6.260000228881836)
Descriptors: MW 367.86, ALogP 3.18, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: TYZNGDLYLRYJCS-KGLIPLIRSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 288 nM (pChEMBL 6.539999961853027)
Descriptors: MW 367.86, ALogP 3.18, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): CC(C)[C@@H]1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: NEUBWALUOOQMFO-OAHLLOKOSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 353.83, ALogP 2.65, HBA 4, HBD 1, PSA 83.13, QED 0.92
Compound (SMILES): CC1C(=O)c2[nH]ncc2C(C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: MXCHFWLKPVDOPC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 373.36, ALogP 2.77, HBA 4, HBD 1, PSA 83.13, QED 0.88
Compound (SMILES): CC1C(=O)c2[nH]ncc2C(C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: OFWZIXOHGWMONG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 399.39, ALogP 3.16, HBA 4, HBD 1, PSA 83.13, QED 0.86
Compound (SMILES): CC(C)[C@H]1C(=O)c2[nH]ncc2[C@@H](C(C)C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: OPEFYDWQQPVVGM-SJORKVTESA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 2302 nM (pChEMBL 5.639999866485596)
Descriptors: MW 429.46, ALogP 4.04, HBA 4, HBD 1, PSA 83.13, QED 0.8
Compound (SMILES): O=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1C1CC1
InChIKey: XBZGUMRHZRKIKL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 2792 nM (pChEMBL 5.550000190734863)
Descriptors: MW 425.43, ALogP 3.55, HBA 4, HBD 1, PSA 83.13, QED 0.81
Compound (SMILES): O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(C2CC2)c2cn[nH]c21
InChIKey: JFPODFASUGTOCL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 386.36, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@@H]1c2cn[nH]c2C(=O)[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: RSEQEACXQZGJOR-SFYZADRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 18334 nM (pChEMBL 4.739999771118164)
Descriptors: MW 374.34, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: KTCZUFKYOCWWRZ-NEPJUHHUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 2361 nM (pChEMBL 5.630000114440918)
Descriptors: MW 402.4, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.85
Compound (SMILES): O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H]1C1CC1
InChIKey: LWOGRYWBSQJZQD-CVEARBPZSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 6704 nM (pChEMBL 5.170000076293945)
Descriptors: MW 426.42, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.81
Compound (SMILES): CC[C@@H]1C(=O)c2[nH]ncc2[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: TYZNGDLYLRYJCS-UONOGXRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 367.86, ALogP 3.18, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: TYZNGDLYLRYJCS-KGLIPLIRSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 367.86, ALogP 3.18, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): CC(C)[C@@H]1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: NEUBWALUOOQMFO-OAHLLOKOSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 3999 nM (pChEMBL 5.400000095367432)
Descriptors: MW 353.83, ALogP 2.65, HBA 4, HBD 1, PSA 83.13, QED 0.92
Compound (SMILES): CCC1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: INJZOGFTQYTLTF-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 373.36, ALogP 2.77, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@H](C2CC2)c2cn[nH]c21
InChIKey: GGLJIWWAQROXNZ-OAHLLOKOSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 385.37, ALogP 2.77, HBA 4, HBD 1, PSA 83.13, QED 0.88
Compound (SMILES): O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C(C(F)(F)F)c2cn[nH]c21
InChIKey: NUEKVEDFVHGFEJ-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 413.3, ALogP 2.92, HBA 4, HBD 1, PSA 83.13, QED 0.77
Compound (SMILES): CC1C(=O)c2[nH]ncc2C(C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: MXCHFWLKPVDOPC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 5106 nM (pChEMBL 5.289999961853027)
Descriptors: MW 373.36, ALogP 2.77, HBA 4, HBD 1, PSA 83.13, QED 0.88
Compound (SMILES): CC1C(=O)c2[nH]ncc2C(C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: OFWZIXOHGWMONG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 2335 nM (pChEMBL 5.630000114440918)
Descriptors: MW 399.39, ALogP 3.16, HBA 4, HBD 1, PSA 83.13, QED 0.86
Compound (SMILES): CC(C)[C@H]1C(=O)c2[nH]ncc2[C@@H](C(C)C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: OPEFYDWQQPVVGM-SJORKVTESA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 429.46, ALogP 4.04, HBA 4, HBD 1, PSA 83.13, QED 0.8
Compound (SMILES): O=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1C1CC1
InChIKey: XBZGUMRHZRKIKL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 425.43, ALogP 3.55, HBA 4, HBD 1, PSA 83.13, QED 0.81
Compound (SMILES): COC[C@H]1C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: FQLKSOWAKJHXNY-GOEBONIOSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 429.42, ALogP 2.78, HBA 5, HBD 1, PSA 92.36, QED 0.79
Compound (SMILES): O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(C2CC2)c2cn[nH]c21
InChIKey: JFPODFASUGTOCL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 5995 nM (pChEMBL 5.21999979019165)
Descriptors: MW 386.36, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@@H]1c2cn[nH]c2C(=O)[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: RSEQEACXQZGJOR-SFYZADRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 1099 nM (pChEMBL 5.960000038146973)
Descriptors: MW 374.34, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@@H]1C(=O)c2[nH]ncc2[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: RSEQEACXQZGJOR-JGVFFNPUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 374.34, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@H]1C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: XZLCDDOEJVNWHE-RMLUDKJBSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 400.38, ALogP 2.55, HBA 5, HBD 1, PSA 96.02, QED 0.85
Compound (SMILES): O=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1c1cc(F)cc(F)c1
InChIKey: LFHYCKJJQVXMBN-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 4000 nM (pChEMBL 5.400000095367432)
Descriptors: MW 498.43, ALogP 4.18, HBA 5, HBD 1, PSA 96.02, QED 0.54
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: KTCZUFKYOCWWRZ-NEPJUHHUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 402.4, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.85
Compound (SMILES): O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H]1C1CC1
InChIKey: LWOGRYWBSQJZQD-CVEARBPZSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated APP cleavage in human SNC cells by ELISA
Measurement: ED50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 426.42, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.81
Compound (SMILES): CC[C@@H]1C(=O)c2[nH]ncc2[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: TYZNGDLYLRYJCS-UONOGXRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 546 nM (pChEMBL 6.260000228881836)
Descriptors: MW 367.86, ALogP 3.18, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: TYZNGDLYLRYJCS-KGLIPLIRSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 288 nM (pChEMBL 6.539999961853027)
Descriptors: MW 367.86, ALogP 3.18, HBA 4, HBD 1, PSA 83.13, QED 0.9
Compound (SMILES): CC(C)[C@@H]1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: NEUBWALUOOQMFO-OAHLLOKOSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 353.83, ALogP 2.65, HBA 4, HBD 1, PSA 83.13, QED 0.92
Compound (SMILES): CC1C(=O)c2[nH]ncc2C(C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: MXCHFWLKPVDOPC-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 373.36, ALogP 2.77, HBA 4, HBD 1, PSA 83.13, QED 0.88
Compound (SMILES): CC1C(=O)c2[nH]ncc2C(C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: OFWZIXOHGWMONG-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 399.39, ALogP 3.16, HBA 4, HBD 1, PSA 83.13, QED 0.86
Compound (SMILES): CC(C)[C@H]1C(=O)c2[nH]ncc2[C@@H](C(C)C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIKey: OPEFYDWQQPVVGM-SJORKVTESA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 2302 nM (pChEMBL 5.639999866485596)
Descriptors: MW 429.46, ALogP 4.04, HBA 4, HBD 1, PSA 83.13, QED 0.8
Compound (SMILES): O=C1c2[nH]ncc2C(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1C1CC1
InChIKey: XBZGUMRHZRKIKL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 2792 nM (pChEMBL 5.550000190734863)
Descriptors: MW 425.43, ALogP 3.55, HBA 4, HBD 1, PSA 83.13, QED 0.81
Compound (SMILES): O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(C2CC2)c2cn[nH]c21
InChIKey: JFPODFASUGTOCL-UHFFFAOYSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 386.36, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): C[C@@H]1c2cn[nH]c2C(=O)[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: RSEQEACXQZGJOR-SFYZADRCSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 18334 nM (pChEMBL 4.739999771118164)
Descriptors: MW 374.34, ALogP 2.16, HBA 5, HBD 1, PSA 96.02, QED 0.87
Compound (SMILES): CC[C@@H]1c2cn[nH]c2C(=O)[C@H](CC)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIKey: KTCZUFKYOCWWRZ-NEPJUHHUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
Measurement: IC50 = 2361 nM (pChEMBL 5.630000114440918)
Descriptors: MW 402.4, ALogP 2.94, HBA 5, HBD 1, PSA 96.02, QED 0.85