lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FFKAEWHVIHHSLK-YSTUSHMSSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 436.51, ALogP 1.91, HBA 5, HBD 3, PSA 111.1, QED 0.62
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-NBHSMZAVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-FJNPEDAXSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-PDSMFRHLSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-UZCIPKQKSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 750 nM (pChEMBL 6.119999885559082)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): CC(C)c1cc(Oc2ccc3oc(C(=O)O)cc3c2)ccc1O
InChIKey: UVMZHKLHOZBKQX-UHFFFAOYSA-N
Target: Thyroid hormone receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P10827
Assay: Agonist activity at THR in HepG2 cells by whole cell assay
Measurement: EC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 312.32, ALogP 4.75, HBA 4, HBD 2, PSA 79.9, QED 0.73
Compound (SMILES): COc1ccc(Oc2c(Br)cc3oc(C(=O)O)cc3c2Br)cc1C(C)C
InChIKey: SDAAEVHXLRPRFF-UHFFFAOYSA-N
Target: Thyroid hormone receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P10827
Assay: Agonist activity at THR in HepG2 cells by whole cell assay
Measurement: EC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 484.14, ALogP 6.58, HBA 4, HBD 1, PSA 68.9, QED 0.44
Compound (SMILES): CC(C)c1cc(Oc2c(Br)cc3oc(C(=O)O)cc3c2Br)ccc1O
InChIKey: VYQVOAZEEZYHRP-UHFFFAOYSA-N
Target: Thyroid hormone receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P10827
Assay: Agonist activity at THR in HepG2 cells by whole cell assay
Measurement: EC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 470.11, ALogP 6.28, HBA 4, HBD 2, PSA 79.9, QED 0.47
Compound (SMILES): Cc1cc2oc(C(=O)O)cc2c(C)c1Oc1ccc(O)c(C(C)C)c1
InChIKey: SXPMPNNJIPNJEH-UHFFFAOYSA-N
Target: Thyroid hormone receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P10827
Assay: Agonist activity at THR in HepG2 cells by whole cell assay
Measurement: EC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 340.38, ALogP 5.37, HBA 4, HBD 2, PSA 79.9, QED 0.67
Compound (SMILES): Cc1cc2c(c(C)c1Oc1ccc(O)c(C(C)C)c1)CC(CC(=O)O)O2
InChIKey: DYCBQLSLNKIBEX-UHFFFAOYSA-N
Target: Thyroid hormone receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P10827
Assay: Agonist activity at THR in HepG2 cells by whole cell assay
Measurement: EC50 = 5.1 nM (pChEMBL 8.289999961853027)
Descriptors: MW 356.42, ALogP 4.7, HBA 4, HBD 2, PSA 75.99, QED 0.81
Compound (SMILES): Cc1cc2c(CC(=O)O)coc2c(C)c1Oc1ccc(O)cc1
InChIKey: PVNPRPWRYQGESM-UHFFFAOYSA-N
Target: Thyroid hormone receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P10827
Assay: Agonist activity at THR in HepG2 cells by whole cell assay
Measurement: EC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 312.32, ALogP 4.17, HBA 4, HBD 2, PSA 79.9, QED 0.76
Compound (SMILES): Cc1cc2c(CC(=O)O)coc2c(C)c1Oc1ccc(O)c(C(C)C)c1
InChIKey: XGIXEBKNKXHCMD-UHFFFAOYSA-N
Target: Thyroid hormone receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P10827
Assay: Agonist activity at THR in HepG2 cells by whole cell assay
Measurement: EC50 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 354.4, ALogP 5.3, HBA 4, HBD 2, PSA 79.9, QED 0.65
Compound (SMILES): O=C(O)c1cc2c(Br)c(Oc3ccc(O)c(C(=O)c4ccc(F)cc4)c3)c(Br)cc2o1
InChIKey: GIYRXPZCGDUAFM-UHFFFAOYSA-N
Target: Thyroid hormone receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P10827
Assay: Agonist activity at THR in HepG2 cells by whole cell assay
Measurement: EC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 550.13, ALogP 6.52, HBA 5, HBD 2, PSA 96.97, QED 0.27
Compound (SMILES): O=C(O)c1cc2c(Br)c(Oc3ccc(O)c(C(O)c4ccc(F)cc4)c3)c(Br)cc2o1
InChIKey: PTLUYEZLNAZYDO-UHFFFAOYSA-N
Target: Thyroid hormone receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P10827
Assay: Agonist activity at THR in HepG2 cells by whole cell assay
Measurement: EC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 552.15, ALogP 6.37, HBA 5, HBD 3, PSA 100.13, QED 0.27
Compound (SMILES): Cc1cc(CC2SC(=O)NC2=O)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIKey: KTSOVZUQNVBSCB-UHFFFAOYSA-N
Target: Thyroid hormone receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P10827
Assay: Agonist activity at THR in HepG2 cells by whole cell assay
Measurement: EC50 = 0.08 nM (pChEMBL 10.100000381469727)
Descriptors: MW 385.49, ALogP 4.82, HBA 5, HBD 2, PSA 75.63, QED 0.77
Compound (SMILES): Cc1ccc(CC2CC(=O)NC(=O)S2)c(C)c1Oc1ccc(O)c(C(C)C)c1
InChIKey: TWNAGPAVIUMOMK-UHFFFAOYSA-N
Target: Thyroid hormone receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P10827
Assay: Agonist activity at THR in HepG2 cells by whole cell assay
Measurement: EC50 = 0.06 nM (pChEMBL 10.220000267028809)
Descriptors: MW 399.51, ALogP 5.21, HBA 5, HBD 2, PSA 75.63, QED 0.72
Compound (SMILES): CC(C)c1cc(Oc2c(C(C)C)cc(CC3SC(=O)NC3=O)cc2C(C)C)ccc1O
InChIKey: MAVVKYQSGOSEET-UHFFFAOYSA-N
Target: Thyroid hormone receptor (PROTEIN COMPLEX), Homo sapiens
UniProt: P10827
Assay: Agonist activity at THR in HepG2 cells by whole cell assay
Measurement: EC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 441.59, ALogP 6.45, HBA 5, HBD 2, PSA 75.63, QED 0.52
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-NBHSMZAVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9NZ42
Assay: Displacement of [3H]L685458 from gamma-secretase in human THP1 cells
Measurement: IC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)NCc2ccccc21
InChIKey: GMBOLUSXSNCWAM-HSLMYDHPSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 416.43, ALogP 1.35, HBA 4, HBD 3, PSA 90.54, QED 0.69
Compound (SMILES): C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: NGZPRNFFVBQJTM-HSLMYDHPSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 414.41, ALogP 1.68, HBA 4, HBD 2, PSA 90.87, QED 0.78
Compound (SMILES): C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: NREBCIBKLHCKRT-YTJLLHSVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 396.42, ALogP 1.54, HBA 4, HBD 2, PSA 90.87, QED 0.8
Compound (SMILES): C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: YRNULWHSWZKWLM-YTJLLHSVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 59 nM (pChEMBL 7.230000019073486)
Descriptors: MW 396.42, ALogP 1.54, HBA 4, HBD 2, PSA 90.87, QED 0.8
Compound (SMILES): C[C@H](NC(=O)Cc1cccc(Cl)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: TYVIBVCYDWBTNJ-YTJLLHSVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 412.88, ALogP 2.05, HBA 4, HBD 2, PSA 90.87, QED 0.79
Compound (SMILES): C[C@H](NC(=O)Cc1cccnc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: VAYYYCIYWDRNOL-FVRDMJKUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 162 nM (pChEMBL 6.789999961853027)
Descriptors: MW 379.42, ALogP 0.79, HBA 5, HBD 2, PSA 103.76, QED 0.8
Compound (SMILES): C[C@H](NC(=O)CC1CCCCC1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: NWBDPXHIXGJCBK-KTQQKIMGSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 384.48, ALogP 2.12, HBA 4, HBD 2, PSA 90.87, QED 0.81
Compound (SMILES): C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: DFRGCSQJKLQXGZ-GZWBLTSWSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 269 nM (pChEMBL 6.570000171661377)
Descriptors: MW 428.49, ALogP 2.55, HBA 4, HBD 2, PSA 90.87, QED 0.65
Compound (SMILES): C[C@H](NC(=O)Cc1cccs1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: DVNZULBMBBBODA-WHUIICBVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 384.46, ALogP 1.46, HBA 5, HBD 2, PSA 90.87, QED 0.82
Compound (SMILES): C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: RDTOJLGEUDKAOF-WHUIICBVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 384.46, ALogP 1.46, HBA 5, HBD 2, PSA 90.87, QED 0.82
Compound (SMILES): C[C@H](NC(=O)Cc1ccco1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: XDRPGJMGXGKWMV-WHUIICBVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 368.39, ALogP 0.99, HBA 5, HBD 2, PSA 104.01, QED 0.82
Compound (SMILES): C[C@H](NC(=O)C(=O)c1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: JWYZOQCZGXINDA-PIJUOJQZSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 428.4, ALogP 1.32, HBA 5, HBD 2, PSA 107.94, QED 0.55
Compound (SMILES): CC(C)N1N=Cc2ccccc2C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)C1=O
InChIKey: SHAVRERCIGSECC-YXWRBFHGSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 442.47, ALogP 2.45, HBA 4, HBD 2, PSA 90.87, QED 0.72
Compound (SMILES): CC1=NN(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)c2ccccc21
InChIKey: KZFAJIUORWGIKB-SZQRVLIRSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 428.44, ALogP 2.07, HBA 4, HBD 2, PSA 90.87, QED 0.76
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-ABRORHJPSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): CC1=NN(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2ccoc2)c2ccccc21
InChIKey: LHXZVZVBMWAIBJ-FVRDMJKUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 382.42, ALogP 1.38, HBA 5, HBD 2, PSA 104.01, QED 0.82
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FFHJMTQXXIYCKU-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.5 nM (pChEMBL 9.300000190734863)
Descriptors: MW 456.49, ALogP 2.7, HBA 4, HBD 2, PSA 90.87, QED 0.67
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: XFMNJQXJJFEFMB-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 438.5, ALogP 2.56, HBA 4, HBD 2, PSA 90.87, QED 0.7
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: RAVLPHDSDGIBTK-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 438.5, ALogP 2.56, HBA 4, HBD 2, PSA 90.87, QED 0.7
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1ccccc1F)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: OOBIJSQKFMWPBV-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 438.5, ALogP 2.56, HBA 4, HBD 2, PSA 90.87, QED 0.7
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FJLCFJOFTFRWRX-LROBGIAVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 426.54, ALogP 2.48, HBA 5, HBD 2, PSA 90.87, QED 0.71
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1cccs1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FQJSJLGCMZSZQJ-LROBGIAVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 426.54, ALogP 2.48, HBA 5, HBD 2, PSA 90.87, QED 0.71
Compound (SMILES): CC(C)C[C@H](NC(=O)CC1CCCCC1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: JHTLAAWJQMVUGR-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 426.56, ALogP 3.15, HBA 4, HBD 2, PSA 90.87, QED 0.7
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FFKAEWHVIHHSLK-SIGULFFNSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 56 nM (pChEMBL 7.25)
Descriptors: MW 436.51, ALogP 1.91, HBA 5, HBD 3, PSA 111.1, QED 0.62
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FFKAEWHVIHHSLK-YSTUSHMSSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 436.51, ALogP 1.91, HBA 5, HBD 3, PSA 111.1, QED 0.62
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-NBHSMZAVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-FJNPEDAXSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-PDSMFRHLSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-UZCIPKQKSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 750 nM (pChEMBL 6.119999885559082)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-NBHSMZAVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q92542
Assay: Displacement of [3H]L685458 from gamma-secretase in human THP1 cells
Measurement: IC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)NCc2ccccc21
InChIKey: GMBOLUSXSNCWAM-HSLMYDHPSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 416.43, ALogP 1.35, HBA 4, HBD 3, PSA 90.54, QED 0.69
Compound (SMILES): C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: NGZPRNFFVBQJTM-HSLMYDHPSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 414.41, ALogP 1.68, HBA 4, HBD 2, PSA 90.87, QED 0.78
Compound (SMILES): C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: NREBCIBKLHCKRT-YTJLLHSVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 396.42, ALogP 1.54, HBA 4, HBD 2, PSA 90.87, QED 0.8
Compound (SMILES): C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: YRNULWHSWZKWLM-YTJLLHSVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 59 nM (pChEMBL 7.230000019073486)
Descriptors: MW 396.42, ALogP 1.54, HBA 4, HBD 2, PSA 90.87, QED 0.8
Compound (SMILES): C[C@H](NC(=O)Cc1cccc(Cl)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: TYVIBVCYDWBTNJ-YTJLLHSVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 412.88, ALogP 2.05, HBA 4, HBD 2, PSA 90.87, QED 0.79
Compound (SMILES): C[C@H](NC(=O)Cc1cccnc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: VAYYYCIYWDRNOL-FVRDMJKUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 162 nM (pChEMBL 6.789999961853027)
Descriptors: MW 379.42, ALogP 0.79, HBA 5, HBD 2, PSA 103.76, QED 0.8
Compound (SMILES): C[C@H](NC(=O)CC1CCCCC1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: NWBDPXHIXGJCBK-KTQQKIMGSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 384.48, ALogP 2.12, HBA 4, HBD 2, PSA 90.87, QED 0.81
Compound (SMILES): C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: DFRGCSQJKLQXGZ-GZWBLTSWSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 269 nM (pChEMBL 6.570000171661377)
Descriptors: MW 428.49, ALogP 2.55, HBA 4, HBD 2, PSA 90.87, QED 0.65
Compound (SMILES): C[C@H](NC(=O)Cc1cccs1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: DVNZULBMBBBODA-WHUIICBVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 384.46, ALogP 1.46, HBA 5, HBD 2, PSA 90.87, QED 0.82
Compound (SMILES): C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: RDTOJLGEUDKAOF-WHUIICBVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 384.46, ALogP 1.46, HBA 5, HBD 2, PSA 90.87, QED 0.82
Compound (SMILES): C[C@H](NC(=O)Cc1ccco1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: XDRPGJMGXGKWMV-WHUIICBVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 368.39, ALogP 0.99, HBA 5, HBD 2, PSA 104.01, QED 0.82
Compound (SMILES): C[C@H](NC(=O)C(=O)c1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: JWYZOQCZGXINDA-PIJUOJQZSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 428.4, ALogP 1.32, HBA 5, HBD 2, PSA 107.94, QED 0.55
Compound (SMILES): CC(C)N1N=Cc2ccccc2C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)C1=O
InChIKey: SHAVRERCIGSECC-YXWRBFHGSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 442.47, ALogP 2.45, HBA 4, HBD 2, PSA 90.87, QED 0.72
Compound (SMILES): CC1=NN(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)c2ccccc21
InChIKey: KZFAJIUORWGIKB-SZQRVLIRSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 428.44, ALogP 2.07, HBA 4, HBD 2, PSA 90.87, QED 0.76
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-ABRORHJPSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): CC1=NN(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2ccoc2)c2ccccc21
InChIKey: LHXZVZVBMWAIBJ-FVRDMJKUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 382.42, ALogP 1.38, HBA 5, HBD 2, PSA 104.01, QED 0.82
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FFHJMTQXXIYCKU-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.5 nM (pChEMBL 9.300000190734863)
Descriptors: MW 456.49, ALogP 2.7, HBA 4, HBD 2, PSA 90.87, QED 0.67
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: XFMNJQXJJFEFMB-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 438.5, ALogP 2.56, HBA 4, HBD 2, PSA 90.87, QED 0.7
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: RAVLPHDSDGIBTK-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 438.5, ALogP 2.56, HBA 4, HBD 2, PSA 90.87, QED 0.7
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1ccccc1F)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: OOBIJSQKFMWPBV-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 438.5, ALogP 2.56, HBA 4, HBD 2, PSA 90.87, QED 0.7
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FJLCFJOFTFRWRX-LROBGIAVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 426.54, ALogP 2.48, HBA 5, HBD 2, PSA 90.87, QED 0.71
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1cccs1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FQJSJLGCMZSZQJ-LROBGIAVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 426.54, ALogP 2.48, HBA 5, HBD 2, PSA 90.87, QED 0.71
Compound (SMILES): CC(C)C[C@H](NC(=O)CC1CCCCC1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: JHTLAAWJQMVUGR-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 426.56, ALogP 3.15, HBA 4, HBD 2, PSA 90.87, QED 0.7
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FFKAEWHVIHHSLK-SIGULFFNSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 56 nM (pChEMBL 7.25)
Descriptors: MW 436.51, ALogP 1.91, HBA 5, HBD 3, PSA 111.1, QED 0.62
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FFKAEWHVIHHSLK-YSTUSHMSSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 436.51, ALogP 1.91, HBA 5, HBD 3, PSA 111.1, QED 0.62
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-NBHSMZAVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-FJNPEDAXSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-PDSMFRHLSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-UZCIPKQKSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 750 nM (pChEMBL 6.119999885559082)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-NBHSMZAVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q96BI3
Assay: Displacement of [3H]L685458 from gamma-secretase in human THP1 cells
Measurement: IC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)NCc2ccccc21
InChIKey: GMBOLUSXSNCWAM-HSLMYDHPSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 416.43, ALogP 1.35, HBA 4, HBD 3, PSA 90.54, QED 0.69
Compound (SMILES): C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: NGZPRNFFVBQJTM-HSLMYDHPSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 414.41, ALogP 1.68, HBA 4, HBD 2, PSA 90.87, QED 0.78
Compound (SMILES): C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: NREBCIBKLHCKRT-YTJLLHSVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 396.42, ALogP 1.54, HBA 4, HBD 2, PSA 90.87, QED 0.8
Compound (SMILES): C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: YRNULWHSWZKWLM-YTJLLHSVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 59 nM (pChEMBL 7.230000019073486)
Descriptors: MW 396.42, ALogP 1.54, HBA 4, HBD 2, PSA 90.87, QED 0.8
Compound (SMILES): C[C@H](NC(=O)Cc1cccc(Cl)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: TYVIBVCYDWBTNJ-YTJLLHSVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 412.88, ALogP 2.05, HBA 4, HBD 2, PSA 90.87, QED 0.79
Compound (SMILES): C[C@H](NC(=O)Cc1cccnc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: VAYYYCIYWDRNOL-FVRDMJKUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 162 nM (pChEMBL 6.789999961853027)
Descriptors: MW 379.42, ALogP 0.79, HBA 5, HBD 2, PSA 103.76, QED 0.8
Compound (SMILES): C[C@H](NC(=O)CC1CCCCC1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: NWBDPXHIXGJCBK-KTQQKIMGSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 384.48, ALogP 2.12, HBA 4, HBD 2, PSA 90.87, QED 0.81
Compound (SMILES): C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: DFRGCSQJKLQXGZ-GZWBLTSWSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 269 nM (pChEMBL 6.570000171661377)
Descriptors: MW 428.49, ALogP 2.55, HBA 4, HBD 2, PSA 90.87, QED 0.65
Compound (SMILES): C[C@H](NC(=O)Cc1cccs1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: DVNZULBMBBBODA-WHUIICBVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 384.46, ALogP 1.46, HBA 5, HBD 2, PSA 90.87, QED 0.82
Compound (SMILES): C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: RDTOJLGEUDKAOF-WHUIICBVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 384.46, ALogP 1.46, HBA 5, HBD 2, PSA 90.87, QED 0.82
Compound (SMILES): C[C@H](NC(=O)Cc1ccco1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: XDRPGJMGXGKWMV-WHUIICBVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 368.39, ALogP 0.99, HBA 5, HBD 2, PSA 104.01, QED 0.82
Compound (SMILES): C[C@H](NC(=O)C(=O)c1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: JWYZOQCZGXINDA-PIJUOJQZSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 428.4, ALogP 1.32, HBA 5, HBD 2, PSA 107.94, QED 0.55
Compound (SMILES): CC(C)N1N=Cc2ccccc2C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)C1=O
InChIKey: SHAVRERCIGSECC-YXWRBFHGSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 442.47, ALogP 2.45, HBA 4, HBD 2, PSA 90.87, QED 0.72
Compound (SMILES): CC1=NN(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)c2ccccc21
InChIKey: KZFAJIUORWGIKB-SZQRVLIRSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 428.44, ALogP 2.07, HBA 4, HBD 2, PSA 90.87, QED 0.76
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-ABRORHJPSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): CC1=NN(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2ccoc2)c2ccccc21
InChIKey: LHXZVZVBMWAIBJ-FVRDMJKUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 382.42, ALogP 1.38, HBA 5, HBD 2, PSA 104.01, QED 0.82
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FFHJMTQXXIYCKU-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.5 nM (pChEMBL 9.300000190734863)
Descriptors: MW 456.49, ALogP 2.7, HBA 4, HBD 2, PSA 90.87, QED 0.67
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: XFMNJQXJJFEFMB-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 438.5, ALogP 2.56, HBA 4, HBD 2, PSA 90.87, QED 0.7
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: RAVLPHDSDGIBTK-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 438.5, ALogP 2.56, HBA 4, HBD 2, PSA 90.87, QED 0.7
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1ccccc1F)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: OOBIJSQKFMWPBV-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 438.5, ALogP 2.56, HBA 4, HBD 2, PSA 90.87, QED 0.7
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FJLCFJOFTFRWRX-LROBGIAVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 426.54, ALogP 2.48, HBA 5, HBD 2, PSA 90.87, QED 0.71
Compound (SMILES): CC(C)C[C@H](NC(=O)Cc1cccs1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FQJSJLGCMZSZQJ-LROBGIAVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 426.54, ALogP 2.48, HBA 5, HBD 2, PSA 90.87, QED 0.71
Compound (SMILES): CC(C)C[C@H](NC(=O)CC1CCCCC1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: JHTLAAWJQMVUGR-AIBWNMTMSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 426.56, ALogP 3.15, HBA 4, HBD 2, PSA 90.87, QED 0.7
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FFKAEWHVIHHSLK-SIGULFFNSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 56 nM (pChEMBL 7.25)
Descriptors: MW 436.51, ALogP 1.91, HBA 5, HBD 3, PSA 111.1, QED 0.62
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: FFKAEWHVIHHSLK-YSTUSHMSSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 436.51, ALogP 1.91, HBA 5, HBD 3, PSA 111.1, QED 0.62
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-NBHSMZAVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-FJNPEDAXSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-PDSMFRHLSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-UZCIPKQKSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 750 nM (pChEMBL 6.119999885559082)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21
InChIKey: HXEHCCYOTHDPPI-NBHSMZAVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: P49768
Assay: Displacement of [3H]L685458 from gamma-secretase in human THP1 cells
Measurement: IC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 430.41, ALogP 1.17, HBA 5, HBD 3, PSA 111.1, QED 0.66
Compound (SMILES): C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)NCc2ccccc21
InChIKey: GMBOLUSXSNCWAM-HSLMYDHPSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 416.43, ALogP 1.35, HBA 4, HBD 3, PSA 90.54, QED 0.69
Compound (SMILES): C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: NGZPRNFFVBQJTM-HSLMYDHPSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 414.41, ALogP 1.68, HBA 4, HBD 2, PSA 90.87, QED 0.78
Compound (SMILES): C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: NREBCIBKLHCKRT-YTJLLHSVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 396.42, ALogP 1.54, HBA 4, HBD 2, PSA 90.87, QED 0.8
Compound (SMILES): C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: YRNULWHSWZKWLM-YTJLLHSVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 59 nM (pChEMBL 7.230000019073486)
Descriptors: MW 396.42, ALogP 1.54, HBA 4, HBD 2, PSA 90.87, QED 0.8
Compound (SMILES): C[C@H](NC(=O)Cc1cccc(Cl)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: TYVIBVCYDWBTNJ-YTJLLHSVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 412.88, ALogP 2.05, HBA 4, HBD 2, PSA 90.87, QED 0.79
Compound (SMILES): C[C@H](NC(=O)Cc1cccnc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: VAYYYCIYWDRNOL-FVRDMJKUSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 162 nM (pChEMBL 6.789999961853027)
Descriptors: MW 379.42, ALogP 0.79, HBA 5, HBD 2, PSA 103.76, QED 0.8
Compound (SMILES): C[C@H](NC(=O)CC1CCCCC1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: NWBDPXHIXGJCBK-KTQQKIMGSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 384.48, ALogP 2.12, HBA 4, HBD 2, PSA 90.87, QED 0.81
Compound (SMILES): C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: DFRGCSQJKLQXGZ-GZWBLTSWSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 269 nM (pChEMBL 6.570000171661377)
Descriptors: MW 428.49, ALogP 2.55, HBA 4, HBD 2, PSA 90.87, QED 0.65
Compound (SMILES): C[C@H](NC(=O)Cc1cccs1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: DVNZULBMBBBODA-WHUIICBVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 384.46, ALogP 1.46, HBA 5, HBD 2, PSA 90.87, QED 0.82
Compound (SMILES): C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: RDTOJLGEUDKAOF-WHUIICBVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 384.46, ALogP 1.46, HBA 5, HBD 2, PSA 90.87, QED 0.82
Compound (SMILES): C[C@H](NC(=O)Cc1ccco1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: XDRPGJMGXGKWMV-WHUIICBVSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 368.39, ALogP 0.99, HBA 5, HBD 2, PSA 104.01, QED 0.82
Compound (SMILES): C[C@H](NC(=O)C(=O)c1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
InChIKey: JWYZOQCZGXINDA-PIJUOJQZSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 428.4, ALogP 1.32, HBA 5, HBD 2, PSA 107.94, QED 0.55
Compound (SMILES): CC(C)N1N=Cc2ccccc2C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)C1=O
InChIKey: SHAVRERCIGSECC-YXWRBFHGSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 442.47, ALogP 2.45, HBA 4, HBD 2, PSA 90.87, QED 0.72
Compound (SMILES): CC1=NN(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)c2ccccc21
InChIKey: KZFAJIUORWGIKB-SZQRVLIRSA-N
Target: Gamma-secretase (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8WW43
Assay: Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
Measurement: IC50 = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 428.44, ALogP 2.07, HBA 4, HBD 2, PSA 90.87, QED 0.76