lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(O)cc2)CC1
InChIKey: QULTXLKAKCQMRD-UHFFFAOYSA-N
Target: Probable C-C chemokine receptor type 3 (SINGLE PROTEIN), Mus musculus
UniProt: P51678
Assay: Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells
Measurement: Ki = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 412.57, ALogP 5.94, HBA 3, HBD 2, PSA 39.26, QED 0.37
Compound (SMILES): CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(OC)cc2)CC1
InChIKey: VGSYCJKOMDSIPP-UHFFFAOYSA-N
Target: Probable C-C chemokine receptor type 3 (SINGLE PROTEIN), Mus musculus
UniProt: P51678
Assay: Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells
Measurement: Ki = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 426.6, ALogP 6.24, HBA 3, HBD 1, PSA 28.26, QED 0.34
Compound (SMILES): CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(C(N)=O)cc2)CC1
InChIKey: CRBGNOGVLJKUSQ-UHFFFAOYSA-N
Target: Probable C-C chemokine receptor type 3 (SINGLE PROTEIN), Mus musculus
UniProt: P51678
Assay: Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells
Measurement: Ki = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 439.6, ALogP 5.33, HBA 3, HBD 2, PSA 62.12, QED 0.37
Compound (SMILES): Cc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIKey: OVVLDNUJGJJFNW-UHFFFAOYSA-N
Target: Probable C-C chemokine receptor type 3 (SINGLE PROTEIN), Mus musculus
UniProt: P51678
Assay: Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells
Measurement: Ki = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 400.54, ALogP 6.12, HBA 2, HBD 1, PSA 19.03, QED 0.4
Compound (SMILES): OCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIKey: DTLONXZATYJNCF-UHFFFAOYSA-N
Target: Probable C-C chemokine receptor type 3 (SINGLE PROTEIN), Mus musculus
UniProt: P51678
Assay: Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells
Measurement: Ki = 18 nM (pChEMBL 7.75)
Descriptors: MW 416.54, ALogP 5.3, HBA 3, HBD 2, PSA 39.26, QED 0.41
Compound (SMILES): COC(C)c1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIKey: IREPBLFFNURPJE-UHFFFAOYSA-N
Target: Probable C-C chemokine receptor type 3 (SINGLE PROTEIN), Mus musculus
UniProt: P51678
Assay: Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells
Measurement: Ki = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 444.59, ALogP 6.52, HBA 3, HBD 1, PSA 28.26, QED 0.32
Compound (SMILES): CCOC(=O)c1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIKey: ZDNRSFQTWFIIDN-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 480 nM (pChEMBL 6.320000171661377)
Descriptors: MW 458.57, ALogP 5.98, HBA 4, HBD 1, PSA 45.33, QED 0.26
Compound (SMILES): CCc1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIKey: NMYOEGLWLBKTCW-UHFFFAOYSA-N
Target: Probable C-C chemokine receptor type 3 (SINGLE PROTEIN), Mus musculus
UniProt: P51678
Assay: Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells
Measurement: Ki = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 396.58, ALogP 6.23, HBA 2, HBD 1, PSA 19.03, QED 0.38
Compound (SMILES): OCc1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIKey: IVMJBDLZRRUJCW-UHFFFAOYSA-N
Target: Probable C-C chemokine receptor type 3 (SINGLE PROTEIN), Mus musculus
UniProt: P51678
Assay: Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells
Measurement: Ki = 92 nM (pChEMBL 7.039999961853027)
Descriptors: MW 398.55, ALogP 5.16, HBA 3, HBD 2, PSA 39.26, QED 0.43
Compound (SMILES): COC(C)c1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIKey: KYLUBFIZIDMYKO-UHFFFAOYSA-N
Target: Probable C-C chemokine receptor type 3 (SINGLE PROTEIN), Mus musculus
UniProt: P51678
Assay: Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells
Measurement: Ki = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 426.6, ALogP 6.38, HBA 3, HBD 1, PSA 28.26, QED 0.33
Compound (SMILES): CCc1[nH]c2cc(C)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIKey: TVSACSZJCZUBIY-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 410.6, ALogP 6.54, HBA 2, HBD 1, PSA 19.03, QED 0.35
Compound (SMILES): CCc1[nH]c2cc(O)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIKey: RUBACXIFRPVRKI-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 86 nM (pChEMBL 7.070000171661377)
Descriptors: MW 412.57, ALogP 5.94, HBA 3, HBD 2, PSA 39.26, QED 0.37
Compound (SMILES): CCc1[nH]c2cc(OC)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIKey: LQECSCQKFZFLPJ-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 426.6, ALogP 6.24, HBA 3, HBD 1, PSA 28.26, QED 0.34
Compound (SMILES): CCc1[nH]c2cc(C(N)=O)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIKey: HACDQWKCIZHKJO-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 439.6, ALogP 5.33, HBA 3, HBD 2, PSA 62.12, QED 0.37
Compound (SMILES): CCc1[nH]c2cc(C(=O)O)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1
InChIKey: YMDBLLFLWGQRTQ-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 4000 nM (pChEMBL 5.400000095367432)
Descriptors: MW 440.58, ALogP 5.93, HBA 3, HBD 2, PSA 56.33, QED 0.34
Compound (SMILES): CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1C
InChIKey: CSRQGGQDNMNQEX-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 428.59, ALogP 6.38, HBA 3, HBD 0, PSA 8.17, QED 0.32
Compound (SMILES): CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccccc1
InChIKey: YWGYONXMCGHURW-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 67 nM (pChEMBL 7.170000076293945)
Descriptors: MW 490.66, ALogP 7.83, HBA 3, HBD 0, PSA 8.17, QED 0.18
Compound (SMILES): CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1CC(=O)O
InChIKey: MPXYNWUUGMMVRW-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 61 nM (pChEMBL 7.210000038146973)
Descriptors: MW 472.6, ALogP 5.93, HBA 4, HBD 1, PSA 45.47, QED 0.31
Compound (SMILES): CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccc(C(=O)O)cc1
InChIKey: QXCXDQFFJYBNTP-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 4.9 nM (pChEMBL 8.3100004196167)
Descriptors: MW 534.67, ALogP 7.53, HBA 4, HBD 1, PSA 45.47, QED 0.18
Compound (SMILES): CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccc(-c2nnn[nH]2)cc1
InChIKey: QTAMIHYZGWVETD-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 4.7 nM (pChEMBL 8.329999923706055)
Descriptors: MW 558.7, ALogP 7.01, HBA 6, HBD 1, PSA 62.63, QED 0.16
Compound (SMILES): CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1Cc1ccc(C(=O)O)cc1
InChIKey: ZQJAWBVNTLAXOW-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 6900 nM (pChEMBL 5.159999847412109)
Descriptors: MW 548.7, ALogP 7.59, HBA 4, HBD 1, PSA 45.47, QED 0.16
Compound (SMILES): CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccc(C(=O)O)cn1
InChIKey: YUCBOQQXHCEAOT-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 535.66, ALogP 6.93, HBA 5, HBD 1, PSA 58.36, QED 0.19
Compound (SMILES): CCOC(=O)Cn1c(CC)c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc21
InChIKey: MAFSPAYMPQWVRE-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 82 nM (pChEMBL 7.090000152587891)
Descriptors: MW 500.66, ALogP 6.41, HBA 5, HBD 0, PSA 34.47, QED 0.18
Compound (SMILES): CCOC(=O)c1ccc(-n2c(CC)c(C3CCN(CCCSc4ccc(F)cc4)CC3)c3ccc(F)cc32)cc1
InChIKey: JRCSAKBNGXSAGM-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 562.73, ALogP 8.01, HBA 5, HBD 0, PSA 34.47, QED 0.11
Compound (SMILES): CCOC(=O)c1ccc(-n2c(CC)c(C3CCN(CCCSc4ccc(F)cc4)CC3)c3ccc(F)cc32)nc1
InChIKey: WCDMZYLZUNFULY-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 54 nM (pChEMBL 7.269999980926514)
Descriptors: MW 563.71, ALogP 7.4, HBA 6, HBD 0, PSA 47.36, QED 0.11
Compound (SMILES): CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1cccc(C(=O)O)n1
InChIKey: RKONWZSIRONAFM-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 535.66, ALogP 6.93, HBA 5, HBD 1, PSA 58.36, QED 0.19
Compound (SMILES): CCOC(=O)c1cccc(-n2c(CC)c(C3CCN(CCCSc4ccc(F)cc4)CC3)c3ccc(F)cc32)n1
InChIKey: MFNWFHKBFKEKAN-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 60 nM (pChEMBL 7.21999979019165)
Descriptors: MW 563.71, ALogP 7.4, HBA 6, HBD 0, PSA 47.36, QED 0.11
Compound (SMILES): CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1cc(C(=O)O)ccn1
InChIKey: OVJKHLOCYYVIIT-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 535.66, ALogP 6.93, HBA 5, HBD 1, PSA 58.36, QED 0.19
Compound (SMILES): CCOC(=O)c1ccnc(-n2c(CC)c(C3CCN(CCCSc4ccc(F)cc4)CC3)c3ccc(F)cc32)c1
InChIKey: VJUTWTGDFJIQRL-UHFFFAOYSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 98 nM (pChEMBL 7.010000228881836)
Descriptors: MW 563.71, ALogP 7.4, HBA 6, HBD 0, PSA 47.36, QED 0.11
Compound (SMILES): CCNC(=O)N[C@@H](CCN1CCC(c2c(CC)[nH]c3cc(F)ccc23)CC1)Cc1ccc(Cl)c(Cl)c1
InChIKey: KVUCRPZZSWTVEJ-NRFANRHFSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 533.52, ALogP 6.68, HBA 2, HBD 3, PSA 60.16, QED 0.29
Compound (SMILES): CCNC(=O)N[C@@H](CCN1CCC(c2c(CC)n(-c3ccc(C(=O)O)cn3)c3cc(F)ccc23)CC1)Cc1ccc(Cl)c(Cl)c1
InChIKey: CRQFSPXWIUARST-VWLOTQADSA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 654.61, ALogP 7.23, HBA 5, HBD 3, PSA 99.49, QED 0.16
Compound (SMILES): CCNC(=O)N[C@@H](CCN1CCC(c2c(CC)n(-c3ccc(C(=O)OC)cn3)c3cc(F)ccc23)CC1)Cc1ccc(Cl)c(Cl)c1
InChIKey: LGOIHCUQXWJJQO-SANMLTNESA-N
Target: C-C chemokine receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51677
Assay: Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
Measurement: Ki = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 668.64, ALogP 7.32, HBA 6, HBD 2, PSA 88.49, QED 0.16
Compound (SMILES): CCC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(Cl)ccc21
InChIKey: NQUUEXKVFJTDTJ-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki = 72 nM (pChEMBL 7.139999866485596)
Descriptors: MW 338.8, ALogP 3.84, HBA 4, HBD 0, PSA 51.02, QED 0.71
Compound (SMILES): CCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(Cl)ccc21
InChIKey: JGBSWQBWUVGILS-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki = 166 nM (pChEMBL 6.78000020980835)
Descriptors: MW 354.8, ALogP 4.06, HBA 5, HBD 0, PSA 60.25, QED 0.7
Compound (SMILES): CCC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21
InChIKey: KZQRFVQWXHYLGT-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30542
Assay: Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
Measurement: Ki = 1360 nM (pChEMBL 5.869999885559082)
Descriptors: MW 304.35, ALogP 3.19, HBA 4, HBD 0, PSA 51.02, QED 0.73
Compound (SMILES): COC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21
InChIKey: IPWONRAIGWPFCF-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki = 245 nM (pChEMBL 6.610000133514404)
Descriptors: MW 306.32, ALogP 3.02, HBA 5, HBD 0, PSA 60.25, QED 0.69
Compound (SMILES): CCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21
InChIKey: OITPIDBCDBQPMS-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30542
Assay: Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
Measurement: Ki = 4600 nM (pChEMBL 5.340000152587891)
Descriptors: MW 320.35, ALogP 3.41, HBA 5, HBD 0, PSA 60.25, QED 0.73
Compound (SMILES): CCC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21
InChIKey: XCDYDGBZFUZUKT-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30542
Assay: Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
Measurement: Ki = 134.3 nM (pChEMBL 6.869999885559082)
Descriptors: MW 318.38, ALogP 3.5, HBA 4, HBD 0, PSA 51.02, QED 0.73
Compound (SMILES): COC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21
InChIKey: NUDHQWXWHZRVDW-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30542
Assay: Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
Measurement: Ki = 1481 nM (pChEMBL 5.829999923706055)
Descriptors: MW 320.35, ALogP 3.33, HBA 5, HBD 0, PSA 60.25, QED 0.69
Compound (SMILES): CCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21
InChIKey: JNNCTJXFLXJKKM-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30542
Assay: Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
Measurement: Ki = 556 nM (pChEMBL 6.25)
Descriptors: MW 334.38, ALogP 3.72, HBA 5, HBD 0, PSA 60.25, QED 0.72
Compound (SMILES): CCCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(C)ccc21
InChIKey: AWIFKALTOQTTSK-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30542
Assay: Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
Measurement: Ki = 565 nM (pChEMBL 6.25)
Descriptors: MW 348.41, ALogP 4.11, HBA 5, HBD 0, PSA 60.25, QED 0.71
Compound (SMILES): CCC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21
InChIKey: WQEKRARRQHTSAU-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30542
Assay: Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
Measurement: Ki = 1543 nM (pChEMBL 5.809999942779541)
Descriptors: MW 348.41, ALogP 3.51, HBA 5, HBD 0, PSA 60.25, QED 0.73
Compound (SMILES): CCOC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21
InChIKey: RTLGOCSNDGKWTR-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30542
Assay: Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
Measurement: Ki = 86 nM (pChEMBL 7.070000171661377)
Descriptors: MW 364.41, ALogP 3.73, HBA 6, HBD 0, PSA 69.48, QED 0.71
Compound (SMILES): C#CCOC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21
InChIKey: YGSIRGMGTKWRKR-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki = 23.3 nM (pChEMBL 7.630000114440918)
Descriptors: MW 374.4, ALogP 3.34, HBA 6, HBD 0, PSA 69.48, QED 0.66
Compound (SMILES): COc1ccc(-c2nc3n(n2)-c2cc(C)ccc2N(C(=O)Cc2ccccc2)C3)cc1
InChIKey: GCJFGIQPHWGNTN-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki = 54.8 nM (pChEMBL 7.260000228881836)
Descriptors: MW 410.48, ALogP 4.34, HBA 5, HBD 0, PSA 60.25, QED 0.5
Compound (SMILES): COc1ccc(-c2nc3n(n2)-c2cc(C)ccc2N(C(=O)OCc2ccccc2)C3)cc1
InChIKey: DXTDQXRWTVCHHP-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki = 231.4 nM (pChEMBL 6.639999866485596)
Descriptors: MW 426.48, ALogP 4.91, HBA 6, HBD 0, PSA 69.48, QED 0.46
Compound (SMILES): CC(C)(O)[C@H]1CC[C@H](Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1
InChIKey: QWEBKNRGVXJIKS-JCNLHEQBSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: Inhibition of Pim2 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay
Measurement: IC50 = 228 nM (pChEMBL 6.639999866485596)
Descriptors: MW 384.91, ALogP 4.79, HBA 5, HBD 2, PSA 62.45, QED 0.68
Compound (SMILES): CO[C@H]1CC[C@H](Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1
InChIKey: FBQBEGGSOHQPPV-WKILWMFISA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: Inhibition of Pim2 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay
Measurement: IC50 = 1020 nM (pChEMBL 5.989999771118164)
Descriptors: MW 356.86, ALogP 4.42, HBA 5, HBD 1, PSA 51.45, QED 0.75
Compound (SMILES): Clc1cccc(-c2cnn3ccc(NCC4CCOCC4)nc23)c1
InChIKey: SWFAGSRXXWSCDS-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay
Measurement: IC50 = 186 nM (pChEMBL 6.730000019073486)
Descriptors: MW 342.83, ALogP 3.89, HBA 5, HBD 1, PSA 51.45, QED 0.78
Compound (SMILES): O=S1(=O)CCC(CNc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1
InChIKey: PBFNIXSYURIUFG-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay
Measurement: IC50 = 164 nM (pChEMBL 6.789999961853027)
Descriptors: MW 390.9, ALogP 3.29, HBA 6, HBD 1, PSA 76.36, QED 0.74
Compound (SMILES): O=C1CCN(c2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1
InChIKey: LUIWEOHKWIYVQO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay
Measurement: IC50 = 168 nM (pChEMBL 6.78000020980835)
Descriptors: MW 326.79, ALogP 3.22, HBA 5, HBD 0, PSA 50.5, QED 0.73
Compound (SMILES): CN(C)CCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1
InChIKey: IUDPPAXWQBHYHO-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: P53779
Assay: Inhibition of human wild type JNK3 using biotinylated ATF2 substrate assessed as phosphorylation at thr53 on ATF2 by fluorescent plate reader
Measurement: IC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 516.61, ALogP 6.08, HBA 8, HBD 3, PSA 103.88, QED 0.21
Compound (SMILES): Cc1cc(Nc2nc3ccccc3[nH]2)c2ccccc2c1Oc1ncccc1-c1ccnc(NCCN(C)C)n1
InChIKey: MZOBZDVFDCQUAV-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: P53779
Assay: Inhibition of human wild type JNK3 using biotinylated ATF2 substrate assessed as phosphorylation at thr53 on ATF2 by fluorescent plate reader
Measurement: IC50 = 710 nM (pChEMBL 6.150000095367432)
Descriptors: MW 530.64, ALogP 6.39, HBA 8, HBD 3, PSA 103.88, QED 0.2
Compound (SMILES): CC(C)CCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1
InChIKey: ULRIGDWMHBUIHG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: P53779
Assay: Inhibition of human wild type JNK3 using biotinylated ATF2 substrate assessed as phosphorylation at thr53 on ATF2 by fluorescent plate reader
Measurement: IC50 = 32 nM (pChEMBL 7.5)
Descriptors: MW 515.62, ALogP 7.56, HBA 7, HBD 3, PSA 100.64, QED 0.18
Compound (SMILES): OCCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1
InChIKey: PPQCTKOGJAYJQN-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: P53779
Assay: Inhibition of human wild type JNK3 using biotinylated ATF2 substrate assessed as phosphorylation at thr53 on ATF2 by fluorescent plate reader
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 489.54, ALogP 5.51, HBA 8, HBD 4, PSA 120.87, QED 0.22
Compound (SMILES): CN1CCCC(Nc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)C1
InChIKey: NPDBZGWDNRJYIQ-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: P53779
Assay: Inhibition of human wild type JNK3 using biotinylated ATF2 substrate assessed as phosphorylation at thr53 on ATF2 by fluorescent plate reader
Measurement: IC50 = 5.5 nM (pChEMBL 8.260000228881836)
Descriptors: MW 542.65, ALogP 6.61, HBA 8, HBD 3, PSA 103.88, QED 0.21
Compound (SMILES): c1cnc(Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)c(-c2ccnc(N[C@@H]3CCCNC3)n2)c1
InChIKey: DSBYFQXQZZQAFZ-HXUWFJFHSA-N
Target: Mitogen-activated protein kinase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: P53779
Assay: Inhibition of human wild type JNK3 using biotinylated ATF2 substrate assessed as phosphorylation at thr53 on ATF2 by fluorescent plate reader
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 528.62, ALogP 6.27, HBA 8, HBD 4, PSA 112.67, QED 0.19
Compound (SMILES): c1cnc(Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)c(-c2ccnc(N[C@H]3CCCNC3)n2)c1
InChIKey: DSBYFQXQZZQAFZ-FQEVSTJZSA-N
Target: Mitogen-activated protein kinase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: P53779
Assay: Inhibition of human wild type JNK3 using biotinylated ATF2 substrate assessed as phosphorylation at thr53 on ATF2 by fluorescent plate reader
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 528.62, ALogP 6.27, HBA 8, HBD 4, PSA 112.67, QED 0.19
Compound (SMILES): N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)CC1
InChIKey: ZADRUEBKBUVLOM-MEMLXQNLSA-N
Target: Mitogen-activated protein kinase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: P53779
Assay: Inhibition of human wild type JNK3 using biotinylated ATF2 substrate assessed as phosphorylation at thr53 on ATF2 by fluorescent plate reader
Measurement: IC50 = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 542.65, ALogP 6.79, HBA 8, HBD 4, PSA 126.66, QED 0.17
Compound (SMILES): N[C@H]1CC[C@@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)CC1
InChIKey: ZADRUEBKBUVLOM-OYRHEFFESA-N
Target: Serine/threonine-protein kinase/endoribonuclease IRE1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75460
Assay: Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay
Measurement: IC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 542.65, ALogP 6.79, HBA 8, HBD 4, PSA 126.66, QED 0.17
Compound (SMILES): Cc1cc(Nc2nc3ccccc3[nH]2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1
InChIKey: FCGYOUSOTWCHEF-HZCBDIJESA-N
Target: Serine/threonine-protein kinase/endoribonuclease IRE1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75460
Assay: Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay
Measurement: IC50 = 6.4 nM (pChEMBL 8.1899995803833)
Descriptors: MW 556.67, ALogP 7.09, HBA 8, HBD 4, PSA 126.66, QED 0.16
Compound (SMILES): Cc1cc(Nc2nc3ccccc3[nH]2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1
InChIKey: UMVDHPFXGXTJAT-NRFANRHFSA-N
Target: Serine/threonine-protein kinase/endoribonuclease IRE1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75460
Assay: Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay
Measurement: IC50 = 5.1 nM (pChEMBL 8.289999961853027)
Descriptors: MW 542.65, ALogP 6.58, HBA 8, HBD 4, PSA 112.67, QED 0.18
Compound (SMILES): Cc1cc(Nc2nc3ccccc3o2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1
InChIKey: GISZVPBPRUQLCY-HZCBDIJESA-N
Target: Serine/threonine-protein kinase/endoribonuclease IRE1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75460
Assay: Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 557.66, ALogP 7.36, HBA 9, HBD 3, PSA 124.01, QED 0.18
Compound (SMILES): Cc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1
InChIKey: RCOILDNJZSSEPU-YHBQERECSA-N
Target: Serine/threonine-protein kinase/endoribonuclease IRE1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75460
Assay: Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 580.71, ALogP 6.28, HBA 8, HBD 3, PSA 132.12, QED 0.2
Compound (SMILES): COc1ccccc1S(=O)(=O)Nc1cc(C)c(Oc2ncccc2-c2ccnc(N[C@H]3CC[C@H](N)CC3)n2)c2ccccc12
InChIKey: RYXTYCHSKGEFAV-YHBQERECSA-N
Target: Serine/threonine-protein kinase/endoribonuclease IRE1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75460
Assay: Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay
Measurement: IC50 = 54 nM (pChEMBL 7.269999980926514)
Descriptors: MW 610.74, ALogP 6.28, HBA 9, HBD 3, PSA 141.35, QED 0.18
Compound (SMILES): Cc1cc(NS(=O)(=O)c2ccccc2C#N)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1
InChIKey: BTRREXVQOUTSPK-RQNOJGIXSA-N
Target: Serine/threonine-protein kinase/endoribonuclease IRE1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75460
Assay: Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 605.72, ALogP 6.15, HBA 9, HBD 3, PSA 155.91, QED 0.19
Compound (SMILES): Cc1cc(NS(=O)(=O)c2ccccc2Cl)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1
InChIKey: VMXTWHCDROGRNY-HZCBDIJESA-N
Target: Serine/threonine-protein kinase/endoribonuclease IRE1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75460
Assay: Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 615.16, ALogP 6.93, HBA 8, HBD 3, PSA 132.12, QED 0.17
Compound (SMILES): Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1
InChIKey: MXNISZSSQGUZMA-HZCBDIJESA-N
Target: Serine/threonine-protein kinase/endoribonuclease IRE1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75460
Assay: Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay
Measurement: IC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 615.16, ALogP 6.93, HBA 8, HBD 3, PSA 132.12, QED 0.17
Compound (SMILES): Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1
InChIKey: XMWUCMFVDXDRDE-NRFANRHFSA-N
Target: Serine/threonine-protein kinase/endoribonuclease IRE1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75460
Assay: Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 601.13, ALogP 6.41, HBA 8, HBD 3, PSA 118.13, QED 0.19
Compound (SMILES): N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3Oc3ccc(NS(=O)(=O)c4ccccc4Cl)c4ccccc34)n2)CC1
InChIKey: WZLNUODSHWYWOC-MEMLXQNLSA-N
Target: Serine/threonine-protein kinase/endoribonuclease IRE1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75460
Assay: Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 601.13, ALogP 6.62, HBA 8, HBD 3, PSA 132.12, QED 0.18
Compound (SMILES): COc1cc(O)ccc1/C=N/NC(=O)Cc1cccc(O)c1
InChIKey: GWCMWZLSDFLMMS-LICLKQGHSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1
Measurement: IC50 = 138 nM (pChEMBL 6.860000133514404)
Descriptors: MW 300.31, ALogP 1.8, HBA 5, HBD 3, PSA 91.15, QED 0.58
Compound (SMILES): CCCCCS(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1
InChIKey: OCWCQFGOTMQTRF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 7140 nM (pChEMBL 5.150000095367432)
Descriptors: MW 358.47, ALogP 3.74, HBA 4, HBD 3, PSA 100.87, QED 0.56
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)C4CCCCC4)cc3)ccc12
InChIKey: ZRSDWTPAAHGILR-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 2260 nM (pChEMBL 5.650000095367432)
Descriptors: MW 370.48, ALogP 3.89, HBA 4, HBD 3, PSA 100.87, QED 0.65
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)C4CC4)cc3)ccc12
InChIKey: SIOZRRKLXCSWOF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 328.4, ALogP 2.72, HBA 4, HBD 3, PSA 100.87, QED 0.69
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)Cc4ccccc4)cc3)ccc12
InChIKey: UGDSZKWHKFSUTO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 315 nM (pChEMBL 6.5)
Descriptors: MW 378.46, ALogP 3.75, HBA 4, HBD 3, PSA 100.87, QED 0.49
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)Cc4cc(F)ccc4F)cc3)ccc12
InChIKey: QNUFYOXCESWZGT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 414.44, ALogP 4.03, HBA 4, HBD 3, PSA 100.87, QED 0.46
Compound (SMILES): Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1
InChIKey: TVMSGMTURGENQY-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 13200 nM (pChEMBL 4.880000114440918)
Descriptors: MW 382.45, ALogP 2.95, HBA 5, HBD 4, PSA 129.55, QED 0.43
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccc(Br)s4)cc3)ccc12
InChIKey: JYACJGJNMOFRNJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 449.36, ALogP 4.44, HBA 5, HBD 3, PSA 100.87, QED 0.43
Compound (SMILES): Cn1cc(S(=O)(=O)Nc2ccc(-c3ccc4c(N)n[nH]c4c3)cc2)c(C(F)(F)F)n1
InChIKey: YWPBWBZJWNDYMG-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 436.42, ALogP 3.37, HBA 6, HBD 3, PSA 118.69, QED 0.45
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccco4)cc3)ccc12
InChIKey: ICRVSTBUSGAZHE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 354.39, ALogP 3.21, HBA 5, HBD 3, PSA 114.01, QED 0.52
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Cl)sc4Cl)cc3)ccc12
InChIKey: JSRVMJYYTDBAOS-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 < 1 nM (pChEMBL 9)
Descriptors: MW 439.35, ALogP 4.98, HBA 5, HBD 3, PSA 100.87, QED 0.42
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)ccc12
InChIKey: UDMWFCCCDQUYMB-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 124 nM (pChEMBL 6.909999847412109)
Descriptors: MW 364.43, ALogP 3.61, HBA 4, HBD 3, PSA 100.87, QED 0.51
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)ccc12
InChIKey: OWFLELTUFLWGEB-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 < 1 nM (pChEMBL 9)
Descriptors: MW 398.88, ALogP 4.27, HBA 4, HBD 3, PSA 100.87, QED 0.48
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12
InChIKey: JEFQHIPHSOQFSM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 433.32, ALogP 4.92, HBA 4, HBD 3, PSA 100.87, QED 0.43
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3)ccc12
InChIKey: TYYAGXCVSKWSLL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 < 1 nM (pChEMBL 9)
Descriptors: MW 433.32, ALogP 4.92, HBA 4, HBD 3, PSA 100.87, QED 0.43
Compound (SMILES): N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1
InChIKey: LXHSPQDCTKLVDN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 423.89, ALogP 4.14, HBA 5, HBD 3, PSA 124.66, QED 0.45
Compound (SMILES): Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1
InChIKey: AKFMVXBPBWEURB-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 403.47, ALogP 3.79, HBA 5, HBD 3, PSA 124.66, QED 0.48
Compound (SMILES): N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1
InChIKey: AUJGKERKPDPUIE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 < 2 nM (pChEMBL 8.699000358581543)
Descriptors: MW 423.89, ALogP 4.14, HBA 5, HBD 3, PSA 124.66, QED 0.45
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(C(F)(F)F)ccc4F)cc3)ccc12
InChIKey: NHVHSFIPSNSCID-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 450.42, ALogP 4.77, HBA 4, HBD 3, PSA 100.87, QED 0.39
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4F)cc3)ccc12
InChIKey: WQDHORVOGLWUOH-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 < 1 nM (pChEMBL 9)
Descriptors: MW 382.42, ALogP 3.75, HBA 4, HBD 3, PSA 100.87, QED 0.5
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(F)c4F)cc3)ccc12
InChIKey: LJTUVOUVZLRBKN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 400.41, ALogP 3.89, HBA 4, HBD 3, PSA 100.87, QED 0.48
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)ccc12
InChIKey: QJFGDYHLSOYTBM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 < 1 nM (pChEMBL 9)
Descriptors: MW 400.41, ALogP 3.89, HBA 4, HBD 3, PSA 100.87, QED 0.48
Compound (SMILES): COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3ccc4c(N)n[nH]c4c3)cc2)c1
InChIKey: AYGUUOFEZAVBDZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 < 1 nM (pChEMBL 9)
Descriptors: MW 428.9, ALogP 4.27, HBA 5, HBD 3, PSA 110.1, QED 0.44
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Br)ccc4Cl)cc3)ccc12
InChIKey: ZVLPMRJOSCOYFM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 < 1 nM (pChEMBL 9)
Descriptors: MW 477.77, ALogP 5.03, HBA 4, HBD 3, PSA 100.87, QED 0.38
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Br)ccc4F)cc3)ccc12
InChIKey: HLJKHYLJUKLYAA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 < 5 nM (pChEMBL 8.300999641418457)
Descriptors: MW 461.32, ALogP 4.51, HBA 4, HBD 3, PSA 100.87, QED 0.42
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4F)cc3)ccc12
InChIKey: PTVOZHCTMAQRJE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 < 5 nM (pChEMBL 8.300999641418457)
Descriptors: MW 416.87, ALogP 4.41, HBA 4, HBD 3, PSA 100.87, QED 0.46
Compound (SMILES): Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)ccc12
InChIKey: ADQJWMZSDXQWOJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 < 1 nM (pChEMBL 9)
Descriptors: MW 416.87, ALogP 4.41, HBA 4, HBD 3, PSA 100.87, QED 0.46
Compound (SMILES): Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cccc5ccccc45)cc3)cnc12
InChIKey: APEZSRSLDCCOAT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 416.47, ALogP 3.56, HBA 6, HBD 3, PSA 126.65, QED 0.41
Compound (SMILES): Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)sc4Cl)cc3)cnc12
InChIKey: ILVJCDROFKYCPX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 441.33, ALogP 3.77, HBA 7, HBD 3, PSA 126.65, QED 0.44
Compound (SMILES): NNc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2cnc3c(N)n[nH]c3n2)cc1
InChIKey: NHVMELQZRBPOSZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 196 nM (pChEMBL 6.710000038146973)
Descriptors: MW 430.88, ALogP 2.34, HBA 8, HBD 5, PSA 164.7, QED 0.24
Compound (SMILES): Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)cnc12
InChIKey: WGVJUOAKNOUUNO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 400.85, ALogP 3.06, HBA 6, HBD 3, PSA 126.65, QED 0.48
Compound (SMILES): Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cccc(F)c4Cl)cc3)cnc12
InChIKey: OXRXVDTXSUMUQL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 418.84, ALogP 3.2, HBA 6, HBD 3, PSA 126.65, QED 0.47
Compound (SMILES): Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4Cl)cc3)cnc12
InChIKey: NZZDUVUTDUWPIG-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 500 uM ATP
Measurement: IC50 = 4760 nM (pChEMBL 5.320000171661377)
Descriptors: MW 435.3, ALogP 3.71, HBA 6, HBD 3, PSA 126.65, QED 0.45
Compound (SMILES): COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3cnc4c(N)n[nH]c4n3)cc2)c1
InChIKey: NQAKQMPWEPLRDF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 430.88, ALogP 3.06, HBA 7, HBD 3, PSA 135.88, QED 0.44
Compound (SMILES): Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4Cl)cc3)cnc12
InChIKey: ADFDYZAYSAIYHV-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 407 nM (pChEMBL 6.389999866485596)
Descriptors: MW 468.85, ALogP 4.08, HBA 6, HBD 3, PSA 126.65, QED 0.41
Compound (SMILES): Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4ccccc4F)cc3)cnc12
InChIKey: STCYFWLNHSJIPQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 384.4, ALogP 2.54, HBA 6, HBD 3, PSA 126.65, QED 0.5
Compound (SMILES): Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)cnc12
InChIKey: FXJISCGIBOZVFV-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 402.39, ALogP 2.68, HBA 6, HBD 3, PSA 126.65, QED 0.48
Compound (SMILES): Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)c(F)cc4F)cc3)cnc12
InChIKey: KVTVEIFPLGJOJG-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00141
Assay: Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 436.83, ALogP 3.33, HBA 6, HBD 3, PSA 126.65, QED 0.42