lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CS(=O)(=O)N1CCN(c2ccc(N3CCCC3=O)cc2COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C\CCNC5=O)cc2)CC1
InChIKey: CWFOPUHXWCKRTN-IHWYPQMZSA-N
Target: Genome polyprotein (SINGLE PROTEIN), Hepatitis C virus genotype 1b (strain HC-J4) (HCV)
UniProt: O92972
Assay: Inhibition Assay: Inhibition assay using HCV NS5B.
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 807.03, ALogP 6.34, HBA 8, HBD 2, PSA 133.29, QED 0.2
Compound (SMILES): O=C1Cn2c(-c3ccc(OCc4cc(N5CCCC5=O)ccc4N4CCOCC4)cc3)c(C3CCCCC3)c3ccc(cc32)C(=O)NS(=O)(=O)C/C=C\CCN1
InChIKey: OACKMZGAMZKRFR-KXFIGUGUSA-N
Target: Genome polyprotein (SINGLE PROTEIN), Hepatitis C virus genotype 1b (strain HC-J4) (HCV)
UniProt: O92972
Assay: Inhibition Assay: Inhibition assay using HCV NS5B.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 779.96, ALogP 6.03, HBA 9, HBD 2, PSA 139.28, QED 0.22
Compound (SMILES): CS(=O)(=O)N1CCN(c2ccc(N3CCCC3=O)cc2COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C\CS(=O)(=O)NC5=O)cc2)CC1
InChIKey: POILQJZTZUBTIA-CLTKARDFSA-N
Target: Genome polyprotein (SINGLE PROTEIN), Hepatitis C virus genotype 1b (strain HC-J4) (HCV)
UniProt: O92972
Assay: Inhibition Assay: Inhibition assay using HCV NS5B.
Measurement: IC50 = 880 nM (pChEMBL 6.059999942779541)
Descriptors: MW 857.07, ALogP 5.28, HBA 10, HBD 2, PSA 167.43, QED 0.22
Compound (SMILES): CS(=O)(=O)N1CCN(c2ccc(N3CCCC3=O)cc2COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C\CCNC5=O)c(F)c2)CC1
InChIKey: WBNMCBSCIHXQRG-IHWYPQMZSA-N
Target: Genome polyprotein (SINGLE PROTEIN), Hepatitis C virus genotype 1b (strain HC-J4) (HCV)
UniProt: O92972
Assay: Inhibition Assay: Inhibition assay using HCV NS5B.
Measurement: IC50 = 1580 nM (pChEMBL 5.800000190734863)
Descriptors: MW 825.02, ALogP 6.48, HBA 8, HBD 2, PSA 133.29, QED 0.19
Compound (SMILES): COc1ccc(-c2ccc(Cl)cc2)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc6cc5n4CC(=O)NCC/C=C\CCNC6=O)ccc3n2)c1
InChIKey: GNPALYZVQGNKAD-IHWYPQMZSA-N
Target: Genome polyprotein (SINGLE PROTEIN), Hepatitis C virus genotype 1b (strain HC-J4) (HCV)
UniProt: O92972
Assay: Inhibition Assay: Inhibition assay using HCV NS5B.
Measurement: IC50 = 1440 nM (pChEMBL 5.840000152587891)
Descriptors: MW 723.32, ALogP 10.1, HBA 5, HBD 2, PSA 85.25, QED 0.17
Compound (SMILES): Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc6cc5n4CC(=O)NCC/C=C\CCNC6=O)ccc3n2)s1
InChIKey: FIRLZGRJVNRBFB-ARJAWSKDSA-N
Target: Genome polyprotein (SINGLE PROTEIN), Hepatitis C virus genotype 1b (strain HC-J4) (HCV)
UniProt: O92972
Assay: Inhibition Assay: Inhibition assay using HCV NS5B.
Measurement: IC50 = 2700 nM (pChEMBL 5.570000171661377)
Descriptors: MW 617.82, ALogP 7.84, HBA 6, HBD 2, PSA 88.91, QED 0.2
Compound (SMILES): Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc6cc5n4CC(=O)NCC/C=C\CS(=O)(=O)NC6=O)ccc3n2)s1
InChIKey: CXIUQHBAYJIOPS-YWEYNIOJSA-N
Target: Genome polyprotein (SINGLE PROTEIN), Hepatitis C virus genotype 1b (strain HC-J4) (HCV)
UniProt: O92972
Assay: Inhibition Assay: Inhibition assay using HCV NS5B.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 667.86, ALogP 6.78, HBA 8, HBD 2, PSA 123.05, QED 0.2
Compound (SMILES): O=C(CN[C@H]1C[C@@H]1c1ccccc1)NC1CC1
InChIKey: UAKUONIDEXEZSJ-OLZOCXBDSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 230.31, ALogP 1.41, HBA 2, HBD 2, PSA 41.13, QED 0.8
Compound (SMILES): NC(=O)CN[C@H]1C[C@@H]1c1ccccc1
InChIKey: KPXWPDFUIPOLRV-ZJUUUORDSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 190.25, ALogP 0.62, HBA 2, HBD 2, PSA 55.12, QED 0.73
Compound (SMILES): CC(N[C@H]1C[C@@H]1c1ccccc1)C(=O)NC1CC1
InChIKey: BBUZLEPIYYVAQR-ADSMYIAOSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 244.34, ALogP 1.8, HBA 2, HBD 2, PSA 41.13, QED 0.83
Compound (SMILES): C#CCNC(=O)CN[C@H]1C[C@@H]1c1ccccc1
InChIKey: LVPIYDHTQIEOAH-OLZOCXBDSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 228.29, ALogP 0.88, HBA 2, HBD 2, PSA 41.13, QED 0.73
Compound (SMILES): CC(C)NC(=O)CN[C@H]1CC1c1ccccc1
InChIKey: UKGLNTOBWIWOGL-ABLWVSNPSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 19000 nM (pChEMBL 4.71999979019165)
Descriptors: MW 232.33, ALogP 1.66, HBA 2, HBD 2, PSA 41.13, QED 0.81
Compound (SMILES): CC(C)(C)NC(=O)CN[C@H]1CC1c1ccccc1
InChIKey: UUIRGPGZUKVFHW-ABLWVSNPSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 246.35, ALogP 2.05, HBA 2, HBD 2, PSA 41.13, QED 0.85
Compound (SMILES): O=C(CN[C@H]1CC1c1ccccc1)N1CCOCC1
InChIKey: CZUYXVCSINQMJP-KZUDCZAMSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 9000 nM (pChEMBL 5.050000190734863)
Descriptors: MW 260.34, ALogP 0.99, HBA 3, HBD 1, PSA 41.57, QED 0.88
Compound (SMILES): O=C(CN[C@H]1C[C@@H]1c1ccccc1)Nc1ccc(F)cc1
InChIKey: ZZMFUZCAPIRMCQ-CVEARBPZSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 284.33, ALogP 2.91, HBA 2, HBD 2, PSA 41.13, QED 0.89
Compound (SMILES): CC(N[C@H]1C[C@@H]1c1ccccc1)C(N)=O
InChIKey: VFASAVVPTVWPSE-JROPRLTOSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 204.27, ALogP 1.01, HBA 2, HBD 2, PSA 55.12, QED 0.77
Compound (SMILES): COC(=O)C(C)N[C@H]1C[C@@H]1c1ccccc1
InChIKey: QPLBIEQMJFTRKD-QZNDUUOJSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 4700 nM (pChEMBL 5.329999923706055)
Descriptors: MW 219.28, ALogP 1.69, HBA 3, HBD 1, PSA 38.33, QED 0.78
Compound (SMILES): O=C(CN[C@H]1C[C@@H]1c1ccccc1)NCC1CCNCC1
InChIKey: HLGCJUYCTCUYSH-CVEARBPZSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 287.41, ALogP 1.25, HBA 3, HBD 3, PSA 53.16, QED 0.74
Compound (SMILES): CC(CN(C)C)NC(=O)CN[C@H]1C[C@@H]1c1ccccc1
InChIKey: QSEZLNBZWLRHRQ-UCWKZMIHSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 275.4, ALogP 1.2, HBA 3, HBD 2, PSA 44.37, QED 0.79
Compound (SMILES): CN(C)CCNC(=O)CN[C@H]1CC1c1ccccc1
InChIKey: NKWARTADHVWOCE-KZUDCZAMSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 261.37, ALogP 0.81, HBA 3, HBD 2, PSA 44.37, QED 0.76
Compound (SMILES): CN(C)[C@H]1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccccc2)C1
InChIKey: JVXIYDJULSGMQC-XHSDSOJGSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 42000 nM (pChEMBL 4.380000114440918)
Descriptors: MW 287.41, ALogP 1.29, HBA 3, HBD 1, PSA 35.58, QED 0.89
Compound (SMILES): CN(C)[C@@H]1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccccc2)C1
InChIKey: JVXIYDJULSGMQC-OAGGEKHMSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 118 nM (pChEMBL 6.929999828338623)
Descriptors: MW 287.41, ALogP 1.29, HBA 3, HBD 1, PSA 35.58, QED 0.89
Compound (SMILES): N[C@H]1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccccc2)C1
InChIKey: NUURPFAEDXBWKM-MJBXVCDLSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 259.35, ALogP 0.69, HBA 3, HBD 2, PSA 58.36, QED 0.84
Compound (SMILES): O=C(CN[C@H]1C[C@@H]1c1ccccc1)N[C@H]1CCNC1
InChIKey: YQCMOHUTUGHJGQ-MJBXVCDLSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 72 nM (pChEMBL 7.139999866485596)
Descriptors: MW 259.35, ALogP 0.61, HBA 3, HBD 3, PSA 53.16, QED 0.73
Compound (SMILES): CN(CC(=O)NC1CC1)[C@H]1C[C@@H]1c1ccccc1
InChIKey: KYAGSBMAIQEYFK-KGLIPLIRSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 74000 nM (pChEMBL 4.130000114440918)
Descriptors: MW 244.34, ALogP 1.75, HBA 2, HBD 1, PSA 32.34, QED 0.86
Compound (SMILES): CN(CC(N)=O)[C@H]1C[C@@H]1c1ccccc1
InChIKey: LPNWDDSJJQXLNY-MNOVXSKESA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 204.27, ALogP 0.96, HBA 2, HBD 1, PSA 46.33, QED 0.79
Compound (SMILES): CC(C)(C)NC(=O)CN(Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1
InChIKey: FQKNVXDSKZYTII-UXHICEINSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 336.48, ALogP 3.96, HBA 2, HBD 1, PSA 32.34, QED 0.87
Compound (SMILES): CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccccc2)CC1
InChIKey: SKTQIQYMZNOSSS-CABCVRRESA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 273.38, ALogP 0.91, HBA 3, HBD 1, PSA 35.58, QED 0.89
Compound (SMILES): CCN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccccc2)CC1
InChIKey: NSALIPKFTPKQSE-CVEARBPZSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 287.41, ALogP 1.3, HBA 3, HBD 1, PSA 35.58, QED 0.89
Compound (SMILES): O=C(CN[C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIKey: NQNAAQHKTOHNRL-RTWAWAEBSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 349.48, ALogP 2.48, HBA 3, HBD 1, PSA 35.58, QED 0.87
Compound (SMILES): O=C(CN[C@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccccc2)CC1
InChIKey: ZRNUJVGIECAKNK-UXHICEINSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 2320 nM (pChEMBL 5.630000114440918)
Descriptors: MW 335.45, ALogP 2.48, HBA 3, HBD 1, PSA 35.58, QED 0.91
Compound (SMILES): CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1
InChIKey: YAMSXCOVJUUMCT-YADHBBJMSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 379.5, ALogP 2.49, HBA 4, HBD 1, PSA 44.81, QED 0.8
Compound (SMILES): O=C(CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)NC1CC1
InChIKey: IUQATBDKBHJKPA-UXHICEINSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 1250 nM (pChEMBL 5.900000095367432)
Descriptors: MW 336.44, ALogP 2.99, HBA 3, HBD 2, PSA 50.36, QED 0.78
Compound (SMILES): CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(F)c3)cc2)CC1
InChIKey: UVZFOQOOVKBQPL-YADHBBJMSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 18 nM (pChEMBL 7.75)
Descriptors: MW 397.49, ALogP 2.62, HBA 4, HBD 1, PSA 44.81, QED 0.78
Compound (SMILES): CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(F)cc3)cc2)CC1
InChIKey: BJFYLGUKFXEVPZ-YADHBBJMSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 397.49, ALogP 2.62, HBA 4, HBD 1, PSA 44.81, QED 0.78
Compound (SMILES): CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(Cl)c3)cc2)CC1
InChIKey: QNNHVLIGVJJWHA-YADHBBJMSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 23300 nM (pChEMBL 4.630000114440918)
Descriptors: MW 413.95, ALogP 3.14, HBA 4, HBD 1, PSA 44.81, QED 0.76
Compound (SMILES): CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(Cl)cc3)cc2)CC1
InChIKey: GZHYLNMRATZHOJ-YADHBBJMSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 413.95, ALogP 3.14, HBA 4, HBD 1, PSA 44.81, QED 0.76
Compound (SMILES): CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(Br)c3)cc2)CC1
InChIKey: DQXZCSSVESGZKS-YADHBBJMSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 458.4, ALogP 3.25, HBA 4, HBD 1, PSA 44.81, QED 0.69
Compound (SMILES): [C-]#[N+]c1ccc(COc2ccc([C@H]3C[C@@H]3NCC(=O)N3CCN(C)CC3)cc2)cc1
InChIKey: POYHEBRTFTTWSN-PKTZIBPZSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 4600 nM (pChEMBL 5.340000152587891)
Descriptors: MW 404.51, ALogP 3.04, HBA 4, HBD 1, PSA 49.17, QED 0.72
Compound (SMILES): CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(OCCc3ccccc3)cc2)CC1
InChIKey: FBBKGIPZEPDFEV-PKTZIBPZSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 161 nM (pChEMBL 6.789999961853027)
Descriptors: MW 393.53, ALogP 2.53, HBA 4, HBD 1, PSA 44.81, QED 0.75
Compound (SMILES): CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)CC1
InChIKey: DWZYLYAWRPZLTO-IZLXSDGUSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 390 nM (pChEMBL 6.409999847412109)
Descriptors: MW 455.6, ALogP 4.15, HBA 4, HBD 1, PSA 44.81, QED 0.55
Compound (SMILES): CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3ccccc3)cc2)CC1
InChIKey: MRCTVBITZXGRNL-RTWAWAEBSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 100 nM (pChEMBL 7)
Descriptors: MW 349.48, ALogP 2.57, HBA 3, HBD 1, PSA 35.58, QED 0.9
Compound (SMILES): CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3cccnc3)cc2)CC1
InChIKey: AJPZFGUJBLWPFR-UXHICEINSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 350.47, ALogP 1.97, HBA 4, HBD 1, PSA 48.47, QED 0.9
Compound (SMILES): COc1cccc(-c2ccc([C@H]3C[C@@H]3NCC(=O)N3CCN(C)CC3)cc2)c1
InChIKey: MSZMRGOZLUCVDL-YADHBBJMSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 379.5, ALogP 2.58, HBA 4, HBD 1, PSA 44.81, QED 0.84
Compound (SMILES): COc1ccc(-c2ccc([C@H]3C[C@@H]3NCC(=O)N3CCN(C)CC3)cc2)cc1
InChIKey: POFWVGANSQWTST-YADHBBJMSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 27500 nM (pChEMBL 4.559999942779541)
Descriptors: MW 379.5, ALogP 2.58, HBA 4, HBD 1, PSA 44.81, QED 0.84
Compound (SMILES): CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3cccc(C#N)c3)cc2)CC1
InChIKey: NMMOMPSSJOYQTJ-YADHBBJMSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 31400 nM (pChEMBL 4.5)
Descriptors: MW 374.49, ALogP 2.44, HBA 4, HBD 1, PSA 59.37, QED 0.87
Compound (SMILES): CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3ccc(C#N)cc3)cc2)CC1
InChIKey: LQNHXDWVGGGLNG-YADHBBJMSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 7400 nM (pChEMBL 5.130000114440918)
Descriptors: MW 374.49, ALogP 2.44, HBA 4, HBD 1, PSA 59.37, QED 0.87
Compound (SMILES): CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIKey: WGLVPIRLBHQGOX-RTWAWAEBSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Biological Assay: Biological assay using monoamine oxidase or LSD1.
Measurement: Ki = 40400 nM (pChEMBL 4.389999866485596)
Descriptors: MW 367.47, ALogP 2.71, HBA 3, HBD 1, PSA 35.58, QED 0.88
Compound (SMILES): O=C(Nc1nc2cccc(-c3ccc(CN4CCCCC4)cc3)n2n1)C1CC1
InChIKey: AVZGDBBFBCYTDU-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P23458
Assay: Inhibition Assay: In vitro inhibition assay using various enzyme.
Measurement: IC50 = 504.1 nM (pChEMBL 6.300000190734863)
Descriptors: MW 375.48, ALogP 3.73, HBA 5, HBD 1, PSA 62.53, QED 0.74
Compound (SMILES): NC(=O)C1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIKey: PKHGHFKYJBSJNV-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: Inhibition Assay: In vitro inhibition assay using various enzyme.
Measurement: IC50 = 1355 nM (pChEMBL 5.869999885559082)
Descriptors: MW 418.5, ALogP 2.44, HBA 6, HBD 2, PSA 105.62, QED 0.64
Compound (SMILES): CC(=O)N1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIKey: XZLHQLMJMSXUMH-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: Inhibition Assay: In vitro inhibition assay using various enzyme.
Measurement: IC50 = 848.7 nM (pChEMBL 6.070000171661377)
Descriptors: MW 418.5, ALogP 2.41, HBA 6, HBD 1, PSA 82.84, QED 0.69
Compound (SMILES): O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
InChIKey: WZXWEHPCVGAYTR-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: Inhibition Assay: In vitro inhibition assay using various enzyme.
Measurement: IC50 = 65.42 nM (pChEMBL 7.179999828338623)
Descriptors: MW 439.5, ALogP 1.62, HBA 7, HBD 1, PSA 113.74, QED 0.66
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(C)cc(NS(C)(=O)=O)c2F)n1
InChIKey: NKKOLHWQHWBPAP-ZDUSSCGKSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 517.59, ALogP 3.39, HBA 8, HBD 4, PSA 150.99, QED 0.34
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(C)(=O)=O)c2)n1
InChIKey: KUJRMMJLCRLYFR-ZDUSSCGKSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.32 nM (pChEMBL 9.489999771118164)
Descriptors: MW 536.06, ALogP 4.01, HBA 8, HBD 4, PSA 150.99, QED 0.34
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)C(F)(F)F)c2)n1
InChIKey: YEYHITPYMZLEJV-LBPRGKRZSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 235 nM (pChEMBL 6.630000114440918)
Descriptors: MW 590.03, ALogP 4.9, HBA 8, HBD 4, PSA 150.99, QED 0.29
Compound (SMILES): CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1
InChIKey: PGXGXIXGUIYWLH-HNNXBMFYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.1 nM (pChEMBL 10)
Descriptors: MW 564.11, ALogP 4.79, HBA 8, HBD 4, PSA 150.99, QED 0.27
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)C3CC3)c2)n1
InChIKey: MAMHCUGUNJMIFH-AWEZNQCLSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.1 nM (pChEMBL 10)
Descriptors: MW 562.1, ALogP 4.55, HBA 8, HBD 4, PSA 150.99, QED 0.3
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)CC(C)C)c2)n1
InChIKey: VDWNXVOQQVRWGF-INIZCTEOSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 578.14, ALogP 5.04, HBA 8, HBD 4, PSA 150.99, QED 0.26
Compound (SMILES): CCC(C)S(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1
InChIKey: MRPOACDQGFMWBR-VYRBHSGPSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.5 nM (pChEMBL 9.300000190734863)
Descriptors: MW 578.14, ALogP 5.18, HBA 8, HBD 4, PSA 150.99, QED 0.26
Compound (SMILES): CCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1
InChIKey: TYCLRJMCPCORHA-AWEZNQCLSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.1 nM (pChEMBL 10)
Descriptors: MW 550.09, ALogP 4.4, HBA 8, HBD 4, PSA 150.99, QED 0.31
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)C(C)C)c2)n1
InChIKey: DAANUDBROOGTIX-HNNXBMFYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 1.35 nM (pChEMBL 8.869999885559082)
Descriptors: MW 564.11, ALogP 4.79, HBA 8, HBD 4, PSA 150.99, QED 0.29
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(NS(=O)(=O)C(C)C)c(C)c(OC)c2)n1
InChIKey: MWUDFCDIMGEBQQ-INIZCTEOSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 189 nM (pChEMBL 6.71999979019165)
Descriptors: MW 573.72, ALogP 4.45, HBA 9, HBD 4, PSA 160.22, QED 0.27
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(NS(=O)(=O)C3CC3)c(C)c(OC)c2)n1
InChIKey: KPPGQWZCAXPGKF-HNNXBMFYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 157 nM (pChEMBL 6.800000190734863)
Descriptors: MW 571.7, ALogP 4.21, HBA 9, HBD 4, PSA 160.22, QED 0.28
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)C(C)C)c2)n1
InChIKey: MHXLVQMEADJZEW-AWEZNQCLSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.63 nM (pChEMBL 9.199999809265137)
Descriptors: MW 548.07, ALogP 4.37, HBA 8, HBD 4, PSA 150.99, QED 0.29
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)C3CC3)c2C)n1
InChIKey: XADYXVPCODESLX-AWEZNQCLSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 204 nM (pChEMBL 6.690000057220459)
Descriptors: MW 576.12, ALogP 4.85, HBA 8, HBD 4, PSA 150.99, QED 0.28
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)C(C)C)c2C)n1
InChIKey: RVOFTTDWRTUMER-HNNXBMFYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 67.2 nM (pChEMBL 7.170000076293945)
Descriptors: MW 578.14, ALogP 5.1, HBA 8, HBD 4, PSA 150.99, QED 0.27
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(NS(=O)(=O)C(C)C)cc(OC(F)F)c2)n1
InChIKey: DEOQVTWMGPOGMK-HNNXBMFYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 11.2 nM (pChEMBL 7.949999809265137)
Descriptors: MW 595.67, ALogP 4.74, HBA 9, HBD 4, PSA 160.22, QED 0.25
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(C)cc(NS(=O)(=O)C(C)C)c2)n1
InChIKey: CJOQJVTZLODUGH-KRWDZBQOSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 3.12 nM (pChEMBL 8.510000228881836)
Descriptors: MW 543.69, ALogP 4.45, HBA 8, HBD 4, PSA 150.99, QED 0.31
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cccc(NS(C)(=O)=O)c2)n1
InChIKey: POICETMUNRSNEQ-AWEZNQCLSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 34.5 nM (pChEMBL 7.460000038146973)
Descriptors: MW 501.61, ALogP 3.36, HBA 8, HBD 4, PSA 150.99, QED 0.37
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(C)(=O)=O)c2)n1
InChIKey: FEUWQLUDYIFIPD-LBPRGKRZSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.48 nM (pChEMBL 9.319999694824219)
Descriptors: MW 520.02, ALogP 3.59, HBA 8, HBD 4, PSA 150.99, QED 0.33
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cccc(NS(C)(=O)=O)c2Cl)n1
InChIKey: QYXRSOAMFKXRCU-LBPRGKRZSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.47 nM (pChEMBL 9.329999923706055)
Descriptors: MW 520.02, ALogP 3.59, HBA 8, HBD 4, PSA 150.99, QED 0.33
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cccc(NS(C)(=O)=O)c2F)n1
InChIKey: GKCIDSIFAMSUJW-LBPRGKRZSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.55 nM (pChEMBL 9.260000228881836)
Descriptors: MW 503.56, ALogP 3.08, HBA 8, HBD 4, PSA 150.99, QED 0.35
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2F)n1
InChIKey: HFOSTMUUQSEZEJ-NSHDSACASA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 521.55, ALogP 3.22, HBA 8, HBD 4, PSA 150.99, QED 0.34
Compound (SMILES): CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F
InChIKey: IWPXOINNGKEFRV-ZDUSSCGKSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.89 nM (pChEMBL 9.050000190734863)
Descriptors: MW 566.06, ALogP 4.51, HBA 8, HBD 4, PSA 150.99, QED 0.26
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(C)(=O)=O)c2Cl)n1
InChIKey: LGMVHJUXPHGDLP-NSHDSACASA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.18 nM (pChEMBL 9.739999771118164)
Descriptors: MW 554.46, ALogP 4.25, HBA 8, HBD 4, PSA 150.99, QED 0.31
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)C3CC3)c2F)n1
InChIKey: PSDDRKAIAAMWIZ-LBPRGKRZSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.18 nM (pChEMBL 9.739999771118164)
Descriptors: MW 564.04, ALogP 4.26, HBA 8, HBD 4, PSA 150.99, QED 0.29
Compound (SMILES): CCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F
InChIKey: PWMKVDVQZIUERF-LBPRGKRZSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.24 nM (pChEMBL 9.619999885559082)
Descriptors: MW 552.03, ALogP 4.12, HBA 8, HBD 4, PSA 150.99, QED 0.29
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)CCC(F)(F)F)c2F)n1
InChIKey: YCCLPJNCXZAVHV-LBPRGKRZSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 620.03, ALogP 5.05, HBA 8, HBD 4, PSA 150.99, QED 0.22
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(C)cc(NS(C)(=O)=O)c2Cl)n1
InChIKey: CCKVIZBHVHATDV-ZDUSSCGKSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 1.1 nM (pChEMBL 8.960000038146973)
Descriptors: MW 534.04, ALogP 3.9, HBA 8, HBD 4, PSA 150.99, QED 0.32
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)CC3CC3)c2F)n1
InChIKey: HBTNXSOJJINMPX-ZDUSSCGKSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.26 nM (pChEMBL 9.59000015258789)
Descriptors: MW 578.07, ALogP 4.51, HBA 8, HBD 4, PSA 150.99, QED 0.26
Compound (SMILES): CCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1Cl
InChIKey: HKTFGEGWADCNRV-LBPRGKRZSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.43 nM (pChEMBL 9.369999885559082)
Descriptors: MW 552.03, ALogP 4.12, HBA 8, HBD 4, PSA 150.99, QED 0.29
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(=O)(=O)C3CC3)c2Cl)n1
InChIKey: OKGNZEREGSRADT-LBPRGKRZSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 564.04, ALogP 4.26, HBA 8, HBD 4, PSA 150.99, QED 0.29
Compound (SMILES): CCCS(=O)(=O)Nc1ccc(F)c(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1Cl
InChIKey: OXYPKVAZLSIWCF-ZDUSSCGKSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.45 nM (pChEMBL 9.350000381469727)
Descriptors: MW 566.06, ALogP 4.51, HBA 8, HBD 4, PSA 150.99, QED 0.26
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1
InChIKey: VDVZHNBMUWDDEJ-LBPRGKRZSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 554.05, ALogP 4.15, HBA 8, HBD 4, PSA 150.99, QED 0.32
Compound (SMILES): CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1Cl
InChIKey: CLJCDHLKXNEKHU-AWEZNQCLSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 582.1, ALogP 4.93, HBA 8, HBD 4, PSA 150.99, QED 0.26
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1
InChIKey: UZKYBQWCLIZKEQ-LBPRGKRZSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.28 nM (pChEMBL 9.550000190734863)
Descriptors: MW 554.05, ALogP 4.15, HBA 8, HBD 4, PSA 150.99, QED 0.32
Compound (SMILES): CCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F
InChIKey: JDPRCFICOAYFFG-ZDUSSCGKSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.46 nM (pChEMBL 9.34000015258789)
Descriptors: MW 568.08, ALogP 4.54, HBA 8, HBD 4, PSA 150.99, QED 0.29
Compound (SMILES): CC(C#N)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cccc(NS(C)(=O)=O)c2Cl)n1
InChIKey: WUCQBMDFNJXQJF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 471.97, ALogP 4.01, HBA 7, HBD 3, PSA 136.45, QED 0.45
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3(C)CC3)[nH]c2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1
InChIKey: YNMUPDMDSKNHHL-LBPRGKRZSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 552.03, ALogP 3.91, HBA 8, HBD 4, PSA 150.99, QED 0.31
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3(C)CC3)[nH]c2-c2cc(C)cc(NS(C)(=O)=O)c2F)n1
InChIKey: RXVJOHHWPJUJPH-AWEZNQCLSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 531.61, ALogP 3.56, HBA 8, HBD 4, PSA 150.99, QED 0.33
Compound (SMILES): CCCNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(=O)(=O)CCC)c2Cl)n1
InChIKey: OSIRLVQDRHQLHM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.39 nM (pChEMBL 9.40999984741211)
Descriptors: MW 493.01, ALogP 5.18, HBA 6, HBD 3, PSA 112.66, QED 0.36
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3(C)CC3)[nH]c2-c2cccc(NS(C)(=O)=O)c2Cl)n1
InChIKey: IIZZXZXCQPNFRH-ZDUSSCGKSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 534.04, ALogP 3.77, HBA 8, HBD 4, PSA 150.99, QED 0.32
Compound (SMILES): CCCNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1
InChIKey: WHWSNJNEODHCAR-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 464.95, ALogP 4.4, HBA 6, HBD 3, PSA 112.66, QED 0.46
Compound (SMILES): CCNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1
InChIKey: UJKHYWAOJNKUFU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 450.93, ALogP 4.01, HBA 6, HBD 3, PSA 112.66, QED 0.5
Compound (SMILES): CC(C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1
InChIKey: FTQOCABQYQGKRJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 478.98, ALogP 4.64, HBA 6, HBD 3, PSA 112.66, QED 0.43
Compound (SMILES): CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NCC)n2)c1Cl
InChIKey: WOMGGDDTPMXLIQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 478.98, ALogP 4.79, HBA 6, HBD 3, PSA 112.66, QED 0.41
Compound (SMILES): CC(C)Nc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1
InChIKey: GSLKVJWUTOOFHO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 464.95, ALogP 4.4, HBA 6, HBD 3, PSA 112.66, QED 0.48
Compound (SMILES): CCCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC(C)C)n2)c1Cl
InChIKey: ITQHGSRALARQKR-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 493.01, ALogP 5.18, HBA 6, HBD 3, PSA 112.66, QED 0.38
Compound (SMILES): COC(=O)N[C@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1
InChIKey: USTQEUSYKXURJE-LLVKDONJSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 538, ALogP 3.73, HBA 8, HBD 4, PSA 150.99, QED 0.32
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)c3ccc(F)cc3)c2F)n1
InChIKey: AFASZXUNTTVSQE-AWEZNQCLSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 618.07, ALogP 5.3, HBA 8, HBD 4, PSA 150.99, QED 0.19
Compound (SMILES): COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)c3cccc(F)c3)c2F)n1
InChIKey: FAGJFBOKLUFLLZ-AWEZNQCLSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.33 nM (pChEMBL 9.479999542236328)
Descriptors: MW 618.07, ALogP 5.3, HBA 8, HBD 4, PSA 150.99, QED 0.19
Compound (SMILES): CC1(c2nc(-c3ccnc(NCCC#N)n3)c(-c3cc(F)cc(NS(C)(=O)=O)c3Cl)[nH]2)CC1
InChIKey: HBFGDBZADKPXLP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.23 nM (pChEMBL 9.640000343322754)
Descriptors: MW 489.96, ALogP 4.07, HBA 7, HBD 3, PSA 136.45, QED 0.41
Compound (SMILES): Cc1cc(NS(C)(=O)=O)c(Cl)c(-c2[nH]c(C3(C)CC3)nc2-c2ccnc(NCCC#N)n2)c1
InChIKey: KRHHRESKMHBMFX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.29 nM (pChEMBL 9.539999961853027)
Descriptors: MW 486, ALogP 4.24, HBA 7, HBD 3, PSA 136.45, QED 0.41
Compound (SMILES): Cc1cc(NS(C)(=O)=O)c(F)c(-c2[nH]c(C3(C)CC3)nc2-c2ccnc(NCCC#N)n2)c1
InChIKey: XDCDWWUTQYLHIN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.37 nM (pChEMBL 9.430000305175781)
Descriptors: MW 469.55, ALogP 3.73, HBA 7, HBD 3, PSA 136.45, QED 0.43
Compound (SMILES): CC1(c2nc(-c3ccnc(NCCC#N)n3)c(-c3cc(Cl)cc(NS(C)(=O)=O)c3F)[nH]2)CC1
InChIKey: JXUVQKLLPWLOHV-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.11 nM (pChEMBL 9.960000038146973)
Descriptors: MW 489.96, ALogP 4.07, HBA 7, HBD 3, PSA 136.45, QED 0.41
Compound (SMILES): CC1(c2nc(-c3ccnc(NCCC#N)n3)c(-c3cccc(NS(C)(=O)=O)c3Cl)[nH]2)CC1
InChIKey: KSOXIPZEUKWPMA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 471.97, ALogP 3.94, HBA 7, HBD 3, PSA 136.45, QED 0.42
Compound (SMILES): CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cc(Cl)cc(NS(C)(=O)=O)c2F)[nH]1
InChIKey: DKTRDLWKMZIANJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 438.92, ALogP 3.58, HBA 6, HBD 3, PSA 126.65, QED 0.57
Compound (SMILES): CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cc(Cl)cc(NS(=O)(=O)c3c(F)cccc3F)c2F)[nH]1
InChIKey: BTCXJAYHFAUMCE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.13 nM (pChEMBL 9.890000343322754)
Descriptors: MW 536.97, ALogP 5.28, HBA 6, HBD 3, PSA 126.65, QED 0.32
Compound (SMILES): Nc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)c3c(F)cccc3F)c2F)n1
InChIKey: VTOGIRDDBFRTNZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.1 nM (pChEMBL 10)
Descriptors: MW 520.92, ALogP 4.86, HBA 6, HBD 3, PSA 126.65, QED 0.33
Compound (SMILES): CS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(N)n2)c1F
InChIKey: QYVAXWRDOIEDOK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 422.87, ALogP 3.16, HBA 6, HBD 3, PSA 126.65, QED 0.58
Compound (SMILES): CCCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(N)n2)c1F
InChIKey: RBYOVVIOTSFRJA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Raf/Mek Amplified Luminescence Proximity Homogeneous Assay: Raf/Mek amplified luminescence proximity homogeneous assay.
Measurement: IC50 = 0.08 nM (pChEMBL 10.100000381469727)
Descriptors: MW 466.97, ALogP 4.36, HBA 6, HBD 3, PSA 126.65, QED 0.5