lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): OCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: ZOXSPDARSPXASJ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 341.37, ALogP 3.55, HBA 6, HBD 2, PSA 75.86, QED 0.51
Compound (SMILES): O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: ZUHVZIMLNIPCPS-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 83 nM (pChEMBL 7.079999923706055)
Descriptors: MW 540.63, ALogP 5.53, HBA 8, HBD 2, PSA 96.66, QED 0.3
Compound (SMILES): COC(=O)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: AKKBHYDWGOQCJA-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2600 nM (pChEMBL 5.579999923706055)
Descriptors: MW 369.38, ALogP 3.84, HBA 7, HBD 1, PSA 81.93, QED 0.48
Compound (SMILES): O=C(c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIKey: MAOQNRGPFCAJRP-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 800 nM (pChEMBL 6.099999904632568)
Descriptors: MW 554.61, ALogP 5.17, HBA 8, HBD 2, PSA 113.73, QED 0.31
Compound (SMILES): COc1cccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1
InChIKey: KPNQQUWRVFXSLZ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 460.5, ALogP 5.31, HBA 7, HBD 2, PSA 93.96, QED 0.37
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc2ccccc2c1
InChIKey: YDOBLZXPBMALLE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 680 nM (pChEMBL 6.170000076293945)
Descriptors: MW 480.53, ALogP 6.46, HBA 6, HBD 2, PSA 84.73, QED 0.3
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: LOAVBBRRDXOMQC-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 566.47, ALogP 7.34, HBA 6, HBD 2, PSA 84.73, QED 0.22
Compound (SMILES): Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1
InChIKey: GJBSEQLAKHVEGV-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 444.5, ALogP 5.61, HBA 6, HBD 2, PSA 84.73, QED 0.37
Compound (SMILES): COc1ccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1
InChIKey: AHYNCHMIMGBSKQ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 460.5, ALogP 5.31, HBA 7, HBD 2, PSA 93.96, QED 0.37
Compound (SMILES): CCCC(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: IWHQBFBZQFDHKP-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 730 nM (pChEMBL 6.139999866485596)
Descriptors: MW 396.45, ALogP 4.79, HBA 6, HBD 2, PSA 84.73, QED 0.46
Compound (SMILES): CC(C)CC(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: BZGGAMPMNAQGGD-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 410.48, ALogP 5.04, HBA 6, HBD 2, PSA 84.73, QED 0.43
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccc2ccccc12
InChIKey: YXVRJOZAAIBAPT-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 640 nM (pChEMBL 6.190000057220459)
Descriptors: MW 480.53, ALogP 6.46, HBA 6, HBD 2, PSA 84.73, QED 0.3
Compound (SMILES): O=C(Cc1cccc2ccccc12)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: DRQFVYRSWVOLHP-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 950 nM (pChEMBL 6.019999980926514)
Descriptors: MW 494.56, ALogP 6.39, HBA 6, HBD 2, PSA 84.73, QED 0.3
Compound (SMILES): CC(C)(C)CC(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: ZCVKLHHZRWXBOG-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 424.51, ALogP 5.43, HBA 6, HBD 2, PSA 84.73, QED 0.4
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)c(F)c1
InChIKey: REHSSNAIYFMQST-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 466.45, ALogP 5.58, HBA 6, HBD 2, PSA 84.73, QED 0.36
Compound (SMILES): [C-]#[N+]c1ccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1
InChIKey: XOVMNEWCJUOMDO-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 455.48, ALogP 5.86, HBA 6, HBD 2, PSA 89.09, QED 0.33
Compound (SMILES): CCC(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: YLDVZXJYHGGBPK-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 382.43, ALogP 4.4, HBA 6, HBD 2, PSA 84.73, QED 0.48
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccnc1
InChIKey: QRQCPFGSVDDRLJ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 431.46, ALogP 4.7, HBA 7, HBD 2, PSA 97.62, QED 0.42
Compound (SMILES): COc1ccccc1C(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: FUJAIGRMJJUONI-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 520 nM (pChEMBL 6.28000020980835)
Descriptors: MW 460.5, ALogP 5.31, HBA 7, HBD 2, PSA 93.96, QED 0.37
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cc2ccccc2s1
InChIKey: NUXVAUMMDPJEAM-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 486.56, ALogP 6.52, HBA 7, HBD 2, PSA 84.73, QED 0.3
Compound (SMILES): CC(C)(C)C(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: AYDFYSCNRNNMGE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 420 nM (pChEMBL 6.380000114440918)
Descriptors: MW 410.48, ALogP 5.04, HBA 6, HBD 2, PSA 84.73, QED 0.43
Compound (SMILES): CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1
InChIKey: FQXCEXPMXDUHLM-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 230 nM (pChEMBL 6.639999866485596)
Descriptors: MW 486.58, ALogP 6.6, HBA 6, HBD 2, PSA 84.73, QED 0.29
Compound (SMILES): CN(C)c1ccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1
InChIKey: VQRCZWHPJWKKJB-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1900 nM (pChEMBL 5.71999979019165)
Descriptors: MW 473.54, ALogP 5.37, HBA 7, HBD 2, PSA 87.97, QED 0.36
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)c(C(F)(F)F)c1
InChIKey: OOZQMPWBEPFRDA-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 5300 nM (pChEMBL 5.28000020980835)
Descriptors: MW 516.46, ALogP 6.46, HBA 6, HBD 2, PSA 84.73, QED 0.26
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc2c(c1)OCO2
InChIKey: YQOZVLYEIBIAHK-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 474.48, ALogP 5.03, HBA 8, HBD 2, PSA 103.19, QED 0.37
Compound (SMILES): Cc1cc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)no1
InChIKey: WWVLULFRDVJWMW-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 435.45, ALogP 4.6, HBA 8, HBD 2, PSA 110.76, QED 0.42
Compound (SMILES): O=C(Cc1ccccc1)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: HHBDACGMARHKNU-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 444.5, ALogP 5.23, HBA 6, HBD 2, PSA 84.73, QED 0.39
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccco1
InChIKey: NGWZGQJUTNDVDF-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 420.43, ALogP 4.9, HBA 7, HBD 2, PSA 97.87, QED 0.42
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1F
InChIKey: WIYNQQSTWJOBLZ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 448.46, ALogP 5.44, HBA 6, HBD 2, PSA 84.73, QED 0.38
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(C(F)(F)F)cc1
InChIKey: HMNXRDAOYZJNJR-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 650 nM (pChEMBL 6.190000057220459)
Descriptors: MW 498.47, ALogP 6.32, HBA 6, HBD 2, PSA 84.73, QED 0.3
Compound (SMILES): COCC(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: BJIRHLZXASXPCW-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 398.43, ALogP 3.64, HBA 7, HBD 2, PSA 93.96, QED 0.48
Compound (SMILES): O=C(CCc1ccccc1)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: IUOHBEOWLFVOAA-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 458.53, ALogP 5.62, HBA 6, HBD 2, PSA 84.73, QED 0.35
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cnc2ccccc2n1
InChIKey: HMABXTCQFLMGKB-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 482.51, ALogP 5.25, HBA 8, HBD 2, PSA 110.51, QED 0.35
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)cc1
InChIKey: NDXIWNRXFPVKEH-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 448.46, ALogP 5.44, HBA 6, HBD 2, PSA 84.73, QED 0.38
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)C1CCC1
InChIKey: AIRQLXZDZKXGOF-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 408.47, ALogP 4.79, HBA 6, HBD 2, PSA 84.73, QED 0.45
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccncc1
InChIKey: YAEJPLJOPMZJHJ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 431.46, ALogP 4.7, HBA 7, HBD 2, PSA 97.62, QED 0.42
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1
InChIKey: DCNDWIYIGNWXDY-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 430.47, ALogP 5.31, HBA 6, HBD 2, PSA 84.73, QED 0.4
Compound (SMILES): [C-]#[N+]c1cccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1
InChIKey: ADUKKTOYAFPVGK-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 76 nM (pChEMBL 7.119999885559082)
Descriptors: MW 455.48, ALogP 5.86, HBA 6, HBD 2, PSA 89.09, QED 0.33
Compound (SMILES): O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(-c2ccccc2)cc1
InChIKey: VJZGSVIOKXTGJC-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 780 nM (pChEMBL 6.110000133514404)
Descriptors: MW 506.57, ALogP 6.97, HBA 6, HBD 2, PSA 84.73, QED 0.27
Compound (SMILES): NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: SBJNLTJMRWOBMP-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 690 nM (pChEMBL 6.159999847412109)
Descriptors: MW 340.39, ALogP 3.51, HBA 6, HBD 2, PSA 81.65, QED 0.51
Compound (SMILES): c1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nnc6n5-c5cccnc5Nc5ccccc5-6)cc4)CC3)[nH]2)nc1
InChIKey: QOTJVGWZDAHQNJ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 84 nM (pChEMBL 7.079999923706055)
Descriptors: MW 552.65, ALogP 5.61, HBA 9, HBD 2, PSA 113.33, QED 0.28
Compound (SMILES): CS(=O)(=O)OCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: CGPKSSDVSBGIJM-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 490 nM (pChEMBL 6.309999942779541)
Descriptors: MW 419.47, ALogP 3.53, HBA 8, HBD 1, PSA 99, QED 0.44
Compound (SMILES): c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCCC4)cc3)nnc1-2
InChIKey: UXBTULHTQGYCAV-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 4300 nM (pChEMBL 5.369999885559082)
Descriptors: MW 394.48, ALogP 4.65, HBA 6, HBD 1, PSA 58.87, QED 0.48
Compound (SMILES): c1ccc(CNCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1
InChIKey: GCGNWKPWIYOIPR-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1900 nM (pChEMBL 5.71999979019165)
Descriptors: MW 430.52, ALogP 5.34, HBA 6, HBD 2, PSA 67.66, QED 0.39
Compound (SMILES): Fc1ccccc1N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: CAGKRJGVFHKFPN-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2800 nM (pChEMBL 5.550000190734863)
Descriptors: MW 503.59, ALogP 5.51, HBA 7, HBD 1, PSA 62.11, QED 0.34
Compound (SMILES): CC(C)CCNCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: HZJOCUQIIWTKOE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 4400 nM (pChEMBL 5.360000133514404)
Descriptors: MW 410.53, ALogP 5.19, HBA 6, HBD 2, PSA 67.66, QED 0.38
Compound (SMILES): c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CNC4CCC4)cc3)nnc1-2
InChIKey: LQYMXYDCHDBLCD-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 4500 nM (pChEMBL 5.349999904632568)
Descriptors: MW 394.48, ALogP 4.7, HBA 6, HBD 2, PSA 67.66, QED 0.46
Compound (SMILES): CCN(Cc1ccncc1)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: MQOCFKISJUHQAB-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2100 nM (pChEMBL 5.679999828338623)
Descriptors: MW 459.56, ALogP 5.47, HBA 7, HBD 1, PSA 71.76, QED 0.36
Compound (SMILES): CC(C)CNCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: JFMFLGHKPXKDQT-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 6400 nM (pChEMBL 5.190000057220459)
Descriptors: MW 396.5, ALogP 4.8, HBA 6, HBD 2, PSA 67.66, QED 0.45
Compound (SMILES): CN(C)C(=O)CN1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: IPGDPDMJXQNRPL-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 8000 nM (pChEMBL 5.099999904632568)
Descriptors: MW 494.6, ALogP 3.26, HBA 8, HBD 1, PSA 82.42, QED 0.4
Compound (SMILES): COCCNCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: JCFDITCFRODRAK-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 4600 nM (pChEMBL 5.340000152587891)
Descriptors: MW 398.47, ALogP 3.79, HBA 7, HBD 2, PSA 76.89, QED 0.42
Compound (SMILES): c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCN(Cc5ccncc5)CC4)cc3)nnc1-2
InChIKey: GSHGZXZQZKSFGB-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 5200 nM (pChEMBL 5.28000020980835)
Descriptors: MW 500.61, ALogP 4.77, HBA 8, HBD 1, PSA 75, QED 0.37
Compound (SMILES): CN(CCc1ccccn1)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: QNOZHHVKBGQJIZ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 459.56, ALogP 5.12, HBA 7, HBD 1, PSA 71.76, QED 0.37
Compound (SMILES): OCC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: BSENSVKSTZLQGD-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 8300 nM (pChEMBL 5.079999923706055)
Descriptors: MW 438.54, ALogP 4.26, HBA 7, HBD 2, PSA 79.1, QED 0.44
Compound (SMILES): COCCN(C)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: JXWPTUDLGMTVMN-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 4700 nM (pChEMBL 5.329999923706055)
Descriptors: MW 412.5, ALogP 4.13, HBA 7, HBD 1, PSA 68.1, QED 0.45
Compound (SMILES): O=C1CCCN1CCCNCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: MQNGKRGGVJCQSI-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 4400 nM (pChEMBL 5.360000133514404)
Descriptors: MW 465.56, ALogP 4.16, HBA 7, HBD 2, PSA 87.97, QED 0.35
Compound (SMILES): CN(CCc1ccccc1)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: NQCVSFOSXMIMFN-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 780 nM (pChEMBL 6.110000133514404)
Descriptors: MW 458.57, ALogP 5.73, HBA 6, HBD 1, PSA 58.87, QED 0.35
Compound (SMILES): OC1(c2ccccc2)CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: UVZLUMOZKUSHMU-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1900 nM (pChEMBL 5.71999979019165)
Descriptors: MW 500.61, ALogP 5.54, HBA 7, HBD 2, PSA 79.1, QED 0.33
Compound (SMILES): CCN(CC)C(=O)C1CCCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)C1
InChIKey: SZTWINYCQZKHJN-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 4800 nM (pChEMBL 5.320000171661377)
Descriptors: MW 507.64, ALogP 5.13, HBA 7, HBD 1, PSA 79.18, QED 0.34
Compound (SMILES): c1ccc(CN2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1
InChIKey: BKSSHLATHWMMOK-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 5300 nM (pChEMBL 5.28000020980835)
Descriptors: MW 499.62, ALogP 5.37, HBA 7, HBD 1, PSA 62.11, QED 0.34
Compound (SMILES): OC1CCCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)C1
InChIKey: YGTPYDLLWKYNHH-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 5700 nM (pChEMBL 5.239999771118164)
Descriptors: MW 424.51, ALogP 4.01, HBA 7, HBD 2, PSA 79.1, QED 0.46
Compound (SMILES): c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCOCC4)cc3)nnc1-2
InChIKey: RCZZSJMNLMGNGX-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 410.48, ALogP 3.89, HBA 7, HBD 1, PSA 68.1, QED 0.49
Compound (SMILES): CC(C)CN(C)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: UBAAYDYRHVFAOA-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 7100 nM (pChEMBL 5.150000095367432)
Descriptors: MW 410.53, ALogP 5.14, HBA 6, HBD 1, PSA 58.87, QED 0.43
Compound (SMILES): CC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)C1
InChIKey: XJNNGTAWJFWSGU-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 3400 nM (pChEMBL 5.46999979019165)
Descriptors: MW 451.53, ALogP 3.76, HBA 7, HBD 2, PSA 87.97, QED 0.43
Compound (SMILES): CCCNCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: ROWACJPABVKXQN-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 5800 nM (pChEMBL 5.239999771118164)
Descriptors: MW 382.47, ALogP 4.55, HBA 6, HBD 2, PSA 67.66, QED 0.44
Compound (SMILES): CN1CCC(N(C)Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: ILZASUNKPVKMAK-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 5500 nM (pChEMBL 5.260000228881836)
Descriptors: MW 451.58, ALogP 4.58, HBA 7, HBD 1, PSA 62.11, QED 0.43
Compound (SMILES): CCOC(=O)N1CCC(NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: RJHRPQKLBLWGGM-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2300 nM (pChEMBL 5.639999866485596)
Descriptors: MW 495.59, ALogP 4.76, HBA 8, HBD 2, PSA 97.2, QED 0.36
Compound (SMILES): CCCN(C)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: ZGOYDTRNNMURFM-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 396.5, ALogP 4.9, HBA 6, HBD 1, PSA 58.87, QED 0.46
Compound (SMILES): Cc1ccc(CN2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1
InChIKey: HLSUDLCHXYLGFX-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2800 nM (pChEMBL 5.550000190734863)
Descriptors: MW 513.65, ALogP 5.68, HBA 7, HBD 1, PSA 62.11, QED 0.32
Compound (SMILES): O=C(c1ccco1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1
InChIKey: ZEOBYHATVDMOHO-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 503.57, ALogP 4.6, HBA 8, HBD 1, PSA 92.32, QED 0.38
Compound (SMILES): c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CNCC4CC4)cc3)nnc1-2
InChIKey: YNPMSPIVPFISFH-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 6700 nM (pChEMBL 5.170000076293945)
Descriptors: MW 394.48, ALogP 4.55, HBA 6, HBD 2, PSA 67.66, QED 0.46
Compound (SMILES): c1ccc(CCN2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1
InChIKey: ZOGYRRQDJUSCJU-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 5800 nM (pChEMBL 5.239999771118164)
Descriptors: MW 513.65, ALogP 5.41, HBA 7, HBD 1, PSA 62.11, QED 0.32
Compound (SMILES): O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)cc1
InChIKey: TYBCUVLFCJTZAU-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 462.49, ALogP 5.12, HBA 6, HBD 2, PSA 84.73, QED 0.38
Compound (SMILES): O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccnc1
InChIKey: XORJSLMBTQQXNN-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 445.49, ALogP 4.38, HBA 7, HBD 2, PSA 97.62, QED 0.42
Compound (SMILES): O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccco1
InChIKey: AMJPOYZOCKBDKI-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 434.46, ALogP 4.58, HBA 7, HBD 2, PSA 97.87, QED 0.42
Compound (SMILES): CN(C)c1ccc(C(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1
InChIKey: KAFNFJGTYNPORD-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 487.57, ALogP 5.05, HBA 7, HBD 2, PSA 87.97, QED 0.35
Compound (SMILES): O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1
InChIKey: UJSWKDPVCYFLNR-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 444.5, ALogP 4.98, HBA 6, HBD 2, PSA 84.73, QED 0.4
Compound (SMILES): O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)C1CCC1
InChIKey: YGKZUWPLDIPOGF-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 422.49, ALogP 4.47, HBA 6, HBD 2, PSA 84.73, QED 0.45
Compound (SMILES): O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1
InChIKey: MLJDPODNZKLYFE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 480.55, ALogP 4.53, HBA 7, HBD 2, PSA 101.8, QED 0.38
Compound (SMILES): COc1ccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1
InChIKey: FYOCHVKIMVUNRG-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 800 nM (pChEMBL 6.099999904632568)
Descriptors: MW 510.58, ALogP 4.54, HBA 8, HBD 2, PSA 111.03, QED 0.34
Compound (SMILES): Cn1cnc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1
InChIKey: LEFFTMGWWQTSLQ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 484.55, ALogP 3.27, HBA 9, HBD 2, PSA 119.62, QED 0.39
Compound (SMILES): Cn1ccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)n1
InChIKey: ABZOANINYNNJQF-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 484.55, ALogP 3.27, HBA 9, HBD 2, PSA 119.62, QED 0.39
Compound (SMILES): O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccnc1
InChIKey: NDLWURNJGOZBEL-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 220 nM (pChEMBL 6.659999847412109)
Descriptors: MW 481.54, ALogP 3.93, HBA 8, HBD 2, PSA 114.69, QED 0.38
Compound (SMILES): O=S(=O)(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1
InChIKey: HLGMMJAGZSAIBQ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 6600 nM (pChEMBL 5.179999828338623)
Descriptors: MW 466.53, ALogP 4.85, HBA 7, HBD 2, PSA 101.8, QED 0.38
Compound (SMILES): O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1ccccc1
InChIKey: VGSLDRWPEJBHRI-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 2900 nM (pChEMBL 5.539999961853027)
Descriptors: MW 459.51, ALogP 5.38, HBA 6, HBD 3, PSA 96.76, QED 0.33
Compound (SMILES): O=S(=O)(NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1
InChIKey: BJAVRQSZSVNVKI-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 5800 nM (pChEMBL 5.239999771118164)
Descriptors: MW 494.58, ALogP 4.57, HBA 7, HBD 2, PSA 101.8, QED 0.35
Compound (SMILES): COc1ccc(S(=O)(=O)NCCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1
InChIKey: CXEUZAYBWJPACW-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 9100 nM (pChEMBL 5.039999961853027)
Descriptors: MW 524.61, ALogP 4.58, HBA 8, HBD 2, PSA 111.03, QED 0.31
Compound (SMILES): O=C(NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1ccccc1
InChIKey: OZHGPIQFTHWGIP-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 473.54, ALogP 5.42, HBA 6, HBD 3, PSA 96.76, QED 0.31
Compound (SMILES): O=C(NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1
InChIKey: RFXYDFVQAJZUHY-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 630 nM (pChEMBL 6.199999809265137)
Descriptors: MW 458.53, ALogP 5.03, HBA 6, HBD 2, PSA 84.73, QED 0.38
Compound (SMILES): O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1F
InChIKey: UKGHEGUHNWDLIW-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 498.54, ALogP 4.67, HBA 7, HBD 2, PSA 101.8, QED 0.36
Compound (SMILES): O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccc(F)c1
InChIKey: YYAJLAWSMGXXAH-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 498.54, ALogP 4.67, HBA 7, HBD 2, PSA 101.8, QED 0.36
Compound (SMILES): COc1cccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1
InChIKey: RJLZXOBAGVYDJS-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 510.58, ALogP 4.54, HBA 8, HBD 2, PSA 111.03, QED 0.34
Compound (SMILES): Cc1cccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1
InChIKey: YNWBCEOGRMKXOE-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 494.58, ALogP 4.84, HBA 7, HBD 2, PSA 101.8, QED 0.36
Compound (SMILES): O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccc(Cl)c1
InChIKey: PMTJMHVQXCLBTG-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 515, ALogP 5.19, HBA 7, HBD 2, PSA 101.8, QED 0.33
Compound (SMILES): O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)cc1
InChIKey: NHCREOAPKJGPRM-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 498.54, ALogP 4.67, HBA 7, HBD 2, PSA 101.8, QED 0.36
Compound (SMILES): Cc1ccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1
InChIKey: PLAHMSPLKMDIEP-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 494.58, ALogP 4.84, HBA 7, HBD 2, PSA 101.8, QED 0.36
Compound (SMILES): O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(Cl)cc1
InChIKey: FSMAQHPMFVXTCV-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 220 nM (pChEMBL 6.659999847412109)
Descriptors: MW 515, ALogP 5.19, HBA 7, HBD 2, PSA 101.8, QED 0.33
Compound (SMILES): CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1
InChIKey: GMSICEMXEVDASA-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 537.61, ALogP 4.49, HBA 8, HBD 3, PSA 130.9, QED 0.29
Compound (SMILES): O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1ccccc1F
InChIKey: AKNGNVBZNUSGHJ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 477.5, ALogP 5.51, HBA 6, HBD 3, PSA 96.76, QED 0.31
Compound (SMILES): O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1cccc(F)c1
InChIKey: XCTISAFFIFKCBS-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 477.5, ALogP 5.51, HBA 6, HBD 3, PSA 96.76, QED 0.31
Compound (SMILES): COc1cccc(NC(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1
InChIKey: KYQPZXRNILHAPX-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 489.54, ALogP 5.38, HBA 7, HBD 3, PSA 105.99, QED 0.3
Compound (SMILES): O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1ccc(F)cc1
InChIKey: IAZTZGDPBSQPHA-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 477.5, ALogP 5.51, HBA 6, HBD 3, PSA 96.76, QED 0.31
Compound (SMILES): Cc1cccc(NC(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1
InChIKey: LEEUNNVOTWCBBS-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 480 nM (pChEMBL 6.320000171661377)
Descriptors: MW 473.54, ALogP 5.68, HBA 6, HBD 3, PSA 96.76, QED 0.31
Compound (SMILES): NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1
InChIKey: QHJQLEPCFYQXNG-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 99 nM (pChEMBL 7)
Descriptors: MW 380.46, ALogP 4.39, HBA 6, HBD 2, PSA 81.65, QED 0.47
Compound (SMILES): ClCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1
InChIKey: XSUPRXIYZYTKHO-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Biochemical Assay: Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
Measurement: IC50 = 1900 nM (pChEMBL 5.71999979019165)
Descriptors: MW 359.82, ALogP 4.79, HBA 5, HBD 1, PSA 55.63, QED 0.46