lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): N#CCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1
InChIKey: BSEDWGJFMRBDKW-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 399.42, ALogP 2.36, HBA 10, HBD 1, PSA 145.22, QED 0.53
Compound (SMILES): COCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1
InChIKey: PZZVUMHUEIFYMF-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 418.46, ALogP 2.48, HBA 10, HBD 1, PSA 130.66, QED 0.48
Compound (SMILES): Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1
InChIKey: VHGUGHVMQLBNIJ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 374.41, ALogP 2.37, HBA 9, HBD 1, PSA 121.43, QED 0.58
Compound (SMILES): Cc1nc(N)ncc1-c1ccc(C2(c3noc(-c4cnn(CC(C)(C)O)c4)n3)CCC2)cn1
InChIKey: YTRARBBJQRIUSL-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 830 nM (pChEMBL 6.079999923706055)
Descriptors: MW 446.52, ALogP 2.92, HBA 10, HBD 2, PSA 141.66, QED 0.46
Compound (SMILES): CNc1cnc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cn2)cn1
InChIKey: ZAHIMRAMKMLSAI-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 430.47, ALogP 2.87, HBA 10, HBD 1, PSA 116.67, QED 0.49
Compound (SMILES): CNc1cnc(-c2ccc(C3(c4noc(-c5cnn(CC(C)(C)O)c5)n4)CCC3)cn2)cn1
InChIKey: UNGGQKXBNILEOQ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 32 nM (pChEMBL 7.5)
Descriptors: MW 446.52, ALogP 3.07, HBA 10, HBD 2, PSA 127.67, QED 0.44
Compound (SMILES): CC(C)(C)CC(=O)N1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CC1
InChIKey: WSGWRYWYKXLIKE-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 3.8 nM (pChEMBL 8.420000076293945)
Descriptors: MW 553.67, ALogP 4.12, HBA 10, HBD 1, PSA 140.05, QED 0.37
Compound (SMILES): CC(C)(C#N)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: QNEPFAAIPDRVFF-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 441.5, ALogP 3.39, HBA 10, HBD 1, PSA 145.22, QED 0.48
Compound (SMILES): Cc1n[nH]cc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1
InChIKey: UQAOJVOXRQBBJW-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 374.41, ALogP 2.67, HBA 8, HBD 2, PSA 132.29, QED 0.56
Compound (SMILES): CN(C)CCNc1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1
InChIKey: UXEQNNFAEAJGCK-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 517.54, ALogP 2.27, HBA 8, HBD 2, PSA 105.04, QED 0.35
Compound (SMILES): CN(C)CCCN(C)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1
InChIKey: FKGOWQMNOVGCEL-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 545.59, ALogP 2.68, HBA 8, HBD 1, PSA 96.25, QED 0.32
Compound (SMILES): CNc1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1
InChIKey: WZDZDLIVAIALCO-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 460.44, ALogP 2.34, HBA 7, HBD 2, PSA 101.8, QED 0.44
Compound (SMILES): CN(C)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1
InChIKey: SLJPYQCCMWACBD-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 68 nM (pChEMBL 7.170000076293945)
Descriptors: MW 474.47, ALogP 2.36, HBA 7, HBD 1, PSA 93.01, QED 0.45
Compound (SMILES): CN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)C1
InChIKey: BTTZMTXDGNOSAF-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 529.55, ALogP 2.41, HBA 8, HBD 2, PSA 105.04, QED 0.37
Compound (SMILES): CN(C)CCCOc1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1
InChIKey: SMROHPKCGBOCMQ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 95 nM (pChEMBL 7.019999980926514)
Descriptors: MW 532.55, ALogP 2.62, HBA 8, HBD 1, PSA 102.24, QED 0.26
Compound (SMILES): CN(C)CCSc1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1
InChIKey: BYRJYORSUHLTSN-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 534.59, ALogP 2.95, HBA 8, HBD 1, PSA 93.01, QED 0.27
Compound (SMILES): CN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: TYNNMYVYIJHKAW-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 543.58, ALogP 2.8, HBA 8, HBD 2, PSA 105.04, QED 0.36
Compound (SMILES): CN1CCCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)C1
InChIKey: YUCJYTFPJFQSPI-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 149 nM (pChEMBL 6.829999923706055)
Descriptors: MW 543.58, ALogP 2.8, HBA 8, HBD 2, PSA 105.04, QED 0.36
Compound (SMILES): CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: KVDVZFUAJXOTTK-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 557.61, ALogP 3.19, HBA 8, HBD 2, PSA 105.04, QED 0.34
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(NC3CCN(C4CC4)CC3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: YJIKLVKCLNJNBK-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 569.62, ALogP 3.33, HBA 8, HBD 2, PSA 105.04, QED 0.33
Compound (SMILES): CN1CCN(c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: YJGUIWIHYAVJEN-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 117 nM (pChEMBL 6.929999828338623)
Descriptors: MW 529.55, ALogP 2.05, HBA 8, HBD 1, PSA 96.25, QED 0.4
Compound (SMILES): CN(C)CC(C)(C)CNc1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1
InChIKey: DKFNTEYODUXACL-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 42 nM (pChEMBL 7.380000114440918)
Descriptors: MW 559.62, ALogP 3.29, HBA 8, HBD 2, PSA 105.04, QED 0.3
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(NC3CCCCC3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: ZEPJYKSBFVSGJZ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 588 nM (pChEMBL 6.230000019073486)
Descriptors: MW 528.56, ALogP 4.04, HBA 7, HBD 2, PSA 101.8, QED 0.37
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(NC3CCNCC3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: BJMZWEDICPWKLZ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 529.55, ALogP 2.46, HBA 8, HBD 3, PSA 113.83, QED 0.33
Compound (SMILES): CN1CCC(N(C)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: VCLQCNCMGZMZQJ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 557.61, ALogP 2.82, HBA 8, HBD 1, PSA 96.25, QED 0.36
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(NC3CC(N4CCCC4)C3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: WUHQADPBGWUVSV-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 569.62, ALogP 3.33, HBA 8, HBD 2, PSA 105.04, QED 0.33
Compound (SMILES): C[C@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(NC4CCN(C)CC4)nc3c2)c1=O
InChIKey: DRGZFFGXPHTULZ-HXUWFJFHSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 556.62, ALogP 3.97, HBA 7, HBD 2, PSA 92.15, QED 0.35
Compound (SMILES): CN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: OJLWHDJSLGOOFI-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 542.59, ALogP 3.41, HBA 7, HBD 2, PSA 92.15, QED 0.36
Compound (SMILES): CN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@H](CO)c5ccccc5)c4=O)cc3n2)CC1
InChIKey: QCEZCJMKWBESAX-MUUNZHRXSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 536.64, ALogP 2.66, HBA 8, HBD 3, PSA 112.38, QED 0.31
Compound (SMILES): N[C@H]1CC[C@@H](Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: QKQAXRDHBACXNP-OYRHEFFESA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 543.58, ALogP 2.98, HBA 8, HBD 3, PSA 127.82, QED 0.32
Compound (SMILES): N[C@H]1CC[C@H](Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: QKQAXRDHBACXNP-MEMLXQNLSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 543.58, ALogP 2.98, HBA 8, HBD 3, PSA 127.82, QED 0.32
Compound (SMILES): CC(C)Nc1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1
InChIKey: KJZNHDOCJJUHRD-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 488.5, ALogP 3.11, HBA 7, HBD 2, PSA 101.8, QED 0.4
Compound (SMILES): CN1CCN(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: SOWJWDBMENSUNC-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 87 nM (pChEMBL 7.059999942779541)
Descriptors: MW 544.57, ALogP 1.87, HBA 9, HBD 2, PSA 108.28, QED 0.35
Compound (SMILES): COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: AVUYSIVKLPGQBS-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 587.63, ALogP 2.82, HBA 9, HBD 2, PSA 114.27, QED 0.29
Compound (SMILES): CN1CCC(Oc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: KMAPURUYUJOBPN-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 56 nM (pChEMBL 7.25)
Descriptors: MW 544.56, ALogP 2.77, HBA 8, HBD 1, PSA 102.24, QED 0.37
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(N[C@H]3CC[C@H](O)CC3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: YJUVCMNGQXQAHZ-MEMLXQNLSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 544.56, ALogP 3.01, HBA 8, HBD 3, PSA 122.03, QED 0.32
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(N[C@H]3CC[C@H](N4CCOCC4)CC3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: GKROWGGJXQZHJG-SOAUALDESA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 613.67, ALogP 3.35, HBA 9, HBD 2, PSA 114.27, QED 0.31
Compound (SMILES): CN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](CO)c5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: WHLOIBZHGUNHRA-NDEPHWFRSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 572.62, ALogP 2.94, HBA 8, HBD 3, PSA 112.38, QED 0.29
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(N[C@H]3CC[C@H](N4CCN(CC5CC5)CC4)CC3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: DFYCDSIUGXSKJG-OGESRWMOSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 666.78, ALogP 4.05, HBA 9, HBD 2, PSA 108.28, QED 0.26
Compound (SMILES): CN(C)[C@H]1CC[C@H](Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: SYABGBGBOIPTSQ-YHBQERECSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 571.63, ALogP 3.58, HBA 8, HBD 2, PSA 105.04, QED 0.33
Compound (SMILES): NC1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)C1
InChIKey: GHFJRJZRAMWRAO-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 529.55, ALogP 2.59, HBA 8, HBD 3, PSA 127.82, QED 0.33
Compound (SMILES): CCN1CC[C@@H](Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)[C@@H](F)C1
InChIKey: UTXWYFKDJYVHIL-LOSJGSFVSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 575.6, ALogP 3.14, HBA 8, HBD 2, PSA 105.04, QED 0.33
Compound (SMILES): CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: XYYJHGDUPLHHPM-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 556.62, ALogP 3.8, HBA 7, HBD 2, PSA 92.15, QED 0.34
Compound (SMILES): CCN1CC[C@H](Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)[C@H](F)C1
InChIKey: UTXWYFKDJYVHIL-RPBOFIJWSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 575.6, ALogP 3.14, HBA 8, HBD 2, PSA 105.04, QED 0.33
Compound (SMILES): COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](CO)c5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: TXYVBNGYRKLKNW-PMERELPUSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 616.67, ALogP 2.96, HBA 9, HBD 3, PSA 121.61, QED 0.23
Compound (SMILES): COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: KGMARAGBPYNBOL-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 586.64, ALogP 3.42, HBA 8, HBD 2, PSA 101.38, QED 0.29
Compound (SMILES): CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](CO)c5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: BEAUSMFBOFFBSA-LJAQVGFWSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 586.64, ALogP 3.33, HBA 8, HBD 3, PSA 112.38, QED 0.27
Compound (SMILES): CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: YJHJOFKZMBMCBY-FQEVSTJZSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 571.63, ALogP 3.75, HBA 8, HBD 2, PSA 105.04, QED 0.33
Compound (SMILES): COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: DNLZVSVKDXRJBB-QFIPXVFZSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 600.67, ALogP 3.98, HBA 8, HBD 2, PSA 101.38, QED 0.28
Compound (SMILES): COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4ccnn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: UALBCKCLOWXUGT-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 587.63, ALogP 2.82, HBA 9, HBD 2, PSA 114.27, QED 0.29
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(NC3CCN(C4COC4)CC3)nc2c1)c1ccnn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: OJNCFJZRYJJUKM-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 585.62, ALogP 2.57, HBA 9, HBD 2, PSA 114.27, QED 0.32
Compound (SMILES): COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@H](CO)c5cccc(F)c5)c4=O)cc3n2)CC1
InChIKey: XWLIJUSZGAVOGX-SSEXGKCCSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 598.68, ALogP 2.82, HBA 9, HBD 3, PSA 121.61, QED 0.24
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(NC3CCN(C4COC4)CC3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: JXHCJCIPOQZMGV-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 585.62, ALogP 2.57, HBA 9, HBD 2, PSA 114.27, QED 0.32
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(NC3CCN(C4COC4)CC3)nc2c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: DKVXJIRBGIERQI-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 584.63, ALogP 3.17, HBA 8, HBD 2, PSA 101.38, QED 0.32
Compound (SMILES): C[C@@H](c1ccc(F)c(F)c1)n1cccc(C(=O)NCC#Cc2ccc3ncc(NC4CCN(C5COC5)CC4)nc3c2)c1=O
InChIKey: DNGYHWPWAQKWCZ-NRFANRHFSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 598.65, ALogP 3.74, HBA 8, HBD 2, PSA 101.38, QED 0.31
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(N[C@H]3CC[C@H](N4CCOCC4)CC3)nc2c1)c1cccn([C@H](CO)c2ccccc2)c1=O
InChIKey: FSSKZWNHOHFGRS-DMBDEWFESA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 606.73, ALogP 3.21, HBA 9, HBD 3, PSA 121.61, QED 0.26
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(N[C@H]3CC[C@H](N4CCOCC4)CC3)nc2c1)c1ccnn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: UASPIJFPXNCLFU-SOAUALDESA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 613.67, ALogP 3.35, HBA 9, HBD 2, PSA 114.27, QED 0.31
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(N[C@H]3CC[C@H](N4CCN(CC5CC5)CC4)CC3)nc2c1)c1cccn([C@H](CO)c2cccc(F)c2)c1=O
InChIKey: XPJQYPIUSAVIAS-BBXAZUCGSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 677.83, ALogP 4.04, HBA 9, HBD 3, PSA 115.62, QED 0.22
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(N[C@H]3CC[C@H](N4CCN(CC5CC5)CC4)CC3)nc2c1)c1ccnn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: MVHVVHPNSFBRFT-OGESRWMOSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 666.78, ALogP 4.05, HBA 9, HBD 2, PSA 108.28, QED 0.26
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(NC3CCN(C4COC4)CC3)nc2c1)c1cccn([C@H](CO)c2cccc(F)c2)c1=O
InChIKey: LEXPBNKAURZGMQ-SSEXGKCCSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 596.66, ALogP 2.57, HBA 9, HBD 3, PSA 121.61, QED 0.27
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(N[C@H]3CC[C@H](N4CCOCC4)CC3)nc2c1)c1cccn([C@H](CO)c2cccc(F)c2)c1=O
InChIKey: KICJPSJFUSVQIW-DMBDEWFESA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 624.72, ALogP 3.35, HBA 9, HBD 3, PSA 121.61, QED 0.26
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(N[C@H]3CC[C@H](N4CCN(CC5CC5)CC4)CC3)nc2c1)c1cccn([C@H](CO)c2ccccc2)c1=O
InChIKey: GYDOJMAGKMWGFS-BBXAZUCGSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 659.84, ALogP 3.91, HBA 9, HBD 3, PSA 115.62, QED 0.22
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(CC3CCNCC3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: GMKGCRHMCIORDY-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 654 nM (pChEMBL 6.179999828338623)
Descriptors: MW 528.56, ALogP 2.84, HBA 7, HBD 2, PSA 101.8, QED 0.37
Compound (SMILES): CN1CCC(Cc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1
InChIKey: PDFZZIITRHXKOX-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 940 nM (pChEMBL 6.03000020980835)
Descriptors: MW 542.59, ALogP 3.18, HBA 7, HBD 1, PSA 93.01, QED 0.38
Compound (SMILES): CC(C)=Cc1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1
InChIKey: RMHFZGLMCDEWSQ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 233 nM (pChEMBL 6.630000114440918)
Descriptors: MW 485.49, ALogP 3.72, HBA 6, HBD 1, PSA 89.77, QED 0.44
Compound (SMILES): CN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1
InChIKey: DJJLWSCEIMOMSV-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 542.59, ALogP 3.41, HBA 7, HBD 2, PSA 92.15, QED 0.36
Compound (SMILES): CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1
InChIKey: AZRQEGMXPIMEQZ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 556.62, ALogP 3.8, HBA 7, HBD 2, PSA 92.15, QED 0.34
Compound (SMILES): CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1
InChIKey: KBCITKPDFLDQRY-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 555.63, ALogP 4.4, HBA 6, HBD 2, PSA 79.26, QED 0.33
Compound (SMILES): COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1
InChIKey: KHEIVHONAZBUSX-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 586.64, ALogP 3.42, HBA 8, HBD 2, PSA 101.38, QED 0.29
Compound (SMILES): COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1
InChIKey: OVUJPMTWGVMDAC-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 585.66, ALogP 4.03, HBA 7, HBD 2, PSA 88.49, QED 0.29
Compound (SMILES): CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2)CC1
InChIKey: GBMMIEHBUHOTLA-QFIPXVFZSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 569.66, ALogP 4.96, HBA 6, HBD 2, PSA 79.26, QED 0.31
Compound (SMILES): CCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@H](CO)c5cccc(F)c5)c4=O)cc3c2)CC1
InChIKey: HXCWSWPMAGMRSS-WJOKGBTCSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 567.67, ALogP 3.8, HBA 7, HBD 3, PSA 99.49, QED 0.28
Compound (SMILES): COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](CO)c5ccc(F)c(F)c5)c4=O)cc3c2)CC1
InChIKey: ZRNAAFXVJQSBAZ-YTTGMZPUSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 615.68, ALogP 3.56, HBA 8, HBD 3, PSA 108.72, QED 0.23
Compound (SMILES): COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2)CC1
InChIKey: RHAFCGFSTKPORR-QHCPKHFHSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 599.68, ALogP 4.59, HBA 7, HBD 2, PSA 88.49, QED 0.27
Compound (SMILES): Cc1c(C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)ccc2ncc(-c3ccccc3)cc12
InChIKey: IRMFYFCCZYKQHA-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 520.54, ALogP 4.87, HBA 5, HBD 1, PSA 76.88, QED 0.34
Compound (SMILES): O=C(NCC#Cc1ccc2ncccc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: HWAMDGVEODEBKO-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 132 nM (pChEMBL 6.880000114440918)
Descriptors: MW 430.41, ALogP 2.9, HBA 5, HBD 1, PSA 76.88, QED 0.51
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(-c3ccccc3)cc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: YAQIBRSUNDTFBC-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 66 nM (pChEMBL 7.179999828338623)
Descriptors: MW 506.51, ALogP 4.57, HBA 5, HBD 1, PSA 76.88, QED 0.35
Compound (SMILES): COC(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)c(C)c2c1
InChIKey: OANOMGIRIACVRI-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 119 nM (pChEMBL 6.920000076293945)
Descriptors: MW 502.48, ALogP 2.99, HBA 7, HBD 1, PSA 103.18, QED 0.33
Compound (SMILES): Cc1c(C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)ccc2ncc(C(=O)O)cc12
InChIKey: GQLWOSJFKCEPDL-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 62 nM (pChEMBL 7.210000038146973)
Descriptors: MW 488.45, ALogP 2.91, HBA 6, HBD 2, PSA 114.18, QED 0.42
Compound (SMILES): CNC(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)c(C)c2c1
InChIKey: LRKJDFDTCWUWCQ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 501.49, ALogP 2.57, HBA 6, HBD 2, PSA 105.98, QED 0.41
Compound (SMILES): Cc1c(C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)ccc2ncc(C(=O)N(C)C)cc12
InChIKey: HJPVZHZXTWUUBV-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 185 nM (pChEMBL 6.730000019073486)
Descriptors: MW 515.52, ALogP 2.91, HBA 6, HBD 1, PSA 97.19, QED 0.41
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(O)cc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: YDIJPDIXYXMOHM-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 86 nM (pChEMBL 7.070000171661377)
Descriptors: MW 446.41, ALogP 2.61, HBA 6, HBD 2, PSA 97.11, QED 0.47
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(OC3CCNCC3)cc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: BVTKOPARLHPQNK-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 529.55, ALogP 3.03, HBA 7, HBD 2, PSA 98.14, QED 0.37
Compound (SMILES): CN(C)CCCOc1ccnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: ZNITUNSWFFMARR-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 531.56, ALogP 3.23, HBA 7, HBD 1, PSA 89.35, QED 0.26