lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): C[C@]1(O)C[C@@H](c2nc(-c3ccc(Nc4ccccc4)cc3)c3c(N)nccn32)C1
InChIKey: ZKWCYJYTCHLTAW-PAVFIEEWSA-N
Target: Activated CDC42 kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07912
Assay: AlphaScreen Assay: Compounds of the invention were tested for ACK1 inhibition activity. 1 uL compounds prepared at 15× in 4 mM DMSO were combined with 9 uL ATP solution in assay buffer containing 50 mM Hepes, 1% glycerol, 1.665 mM MnCl2 and Poly-(GT)-Biotin (Cisbio #61GT0BLD, 1:1500 dilution) in ProxiPlate-384 Plus plate (PerkinElmer #6008280). Final DMSO concentration was 0.25% with an ATP final concentration of 100 uM. The reaction was started by adding 5 uL ACK1 solution (Carna, 15 pg/uL final in assay) in an enzyme buffer containing 50 mM Hepes, 0.24 mM EGTA, 0.024% Brij-35, 3 mM DTT, 0.01% BSA. Reaction was allowed to occur for 20 min., shaking, at RT. Anti PT66 acceptor beads and Streptavidin donor beads (PerkinElmer #6760602R) were prepared by adding each at 1:160 dilution in a detection buffer containing 25 mM Tris-HCl, 250 mM NaCl, 100 mM EDTA, 0.25% BSA. Prepared beads were added to assay plate at 5 uL well and allowed to incubate protected from light, shaking, for 2 hrs at RT. Plates were read on AlphaQuest reader.
Measurement: IC50 = 1459.9 nM (pChEMBL 5.840000152587891)
Descriptors: MW 385.47, ALogP 4.35, HBA 6, HBD 3, PSA 88.47, QED 0.49
Compound (SMILES): Cc1cc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)ccc1Oc1ccccc1
InChIKey: FJAKCXRNHPAFKC-SMQSCJQKSA-N
Target: Activated CDC42 kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07912
Assay: AlphaScreen Assay: Compounds of the invention were tested for ACK1 inhibition activity. 1 uL compounds prepared at 15× in 4 mM DMSO were combined with 9 uL ATP solution in assay buffer containing 50 mM Hepes, 1% glycerol, 1.665 mM MnCl2 and Poly-(GT)-Biotin (Cisbio #61GT0BLD, 1:1500 dilution) in ProxiPlate-384 Plus plate (PerkinElmer #6008280). Final DMSO concentration was 0.25% with an ATP final concentration of 100 uM. The reaction was started by adding 5 uL ACK1 solution (Carna, 15 pg/uL final in assay) in an enzyme buffer containing 50 mM Hepes, 0.24 mM EGTA, 0.024% Brij-35, 3 mM DTT, 0.01% BSA. Reaction was allowed to occur for 20 min., shaking, at RT. Anti PT66 acceptor beads and Streptavidin donor beads (PerkinElmer #6760602R) were prepared by adding each at 1:160 dilution in a detection buffer containing 25 mM Tris-HCl, 250 mM NaCl, 100 mM EDTA, 0.25% BSA. Prepared beads were added to assay plate at 5 uL well and allowed to incubate protected from light, shaking, for 2 hrs at RT. Plates were read on AlphaQuest reader.
Measurement: IC50 = 1979.6 nM (pChEMBL 5.699999809265137)
Descriptors: MW 400.48, ALogP 4.71, HBA 6, HBD 2, PSA 85.67, QED 0.52
Compound (SMILES): C[C@]1(O)C[C@@H](c2nc(-c3ccc(SC4CCCCO4)cc3)c3c(N)nccn32)C1
InChIKey: JNXSRXIMLNLMFQ-ZEBOSLICSA-N
Target: Activated CDC42 kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07912
Assay: AlphaScreen Assay: Compounds of the invention were tested for ACK1 inhibition activity. 1 uL compounds prepared at 15× in 4 mM DMSO were combined with 9 uL ATP solution in assay buffer containing 50 mM Hepes, 1% glycerol, 1.665 mM MnCl2 and Poly-(GT)-Biotin (Cisbio #61GT0BLD, 1:1500 dilution) in ProxiPlate-384 Plus plate (PerkinElmer #6008280). Final DMSO concentration was 0.25% with an ATP final concentration of 100 uM. The reaction was started by adding 5 uL ACK1 solution (Carna, 15 pg/uL final in assay) in an enzyme buffer containing 50 mM Hepes, 0.24 mM EGTA, 0.024% Brij-35, 3 mM DTT, 0.01% BSA. Reaction was allowed to occur for 20 min., shaking, at RT. Anti PT66 acceptor beads and Streptavidin donor beads (PerkinElmer #6760602R) were prepared by adding each at 1:160 dilution in a detection buffer containing 25 mM Tris-HCl, 250 mM NaCl, 100 mM EDTA, 0.25% BSA. Prepared beads were added to assay plate at 5 uL well and allowed to incubate protected from light, shaking, for 2 hrs at RT. Plates were read on AlphaQuest reader.
Measurement: IC50 = 242.4 nM (pChEMBL 6.619999885559082)
Descriptors: MW 410.54, ALogP 4.23, HBA 7, HBD 2, PSA 85.67, QED 0.67
Compound (SMILES): C[C@]1(O)C[C@@H](c2nc(-c3ccc(C(=O)C4CCCCO4)cc3)c3c(N)nccn32)C1
InChIKey: VKJFNSYPAZEDAS-BKCYEROPSA-N
Target: Activated CDC42 kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07912
Assay: AlphaScreen Assay: Compounds of the invention were tested for ACK1 inhibition activity. 1 uL compounds prepared at 15× in 4 mM DMSO were combined with 9 uL ATP solution in assay buffer containing 50 mM Hepes, 1% glycerol, 1.665 mM MnCl2 and Poly-(GT)-Biotin (Cisbio #61GT0BLD, 1:1500 dilution) in ProxiPlate-384 Plus plate (PerkinElmer #6008280). Final DMSO concentration was 0.25% with an ATP final concentration of 100 uM. The reaction was started by adding 5 uL ACK1 solution (Carna, 15 pg/uL final in assay) in an enzyme buffer containing 50 mM Hepes, 0.24 mM EGTA, 0.024% Brij-35, 3 mM DTT, 0.01% BSA. Reaction was allowed to occur for 20 min., shaking, at RT. Anti PT66 acceptor beads and Streptavidin donor beads (PerkinElmer #6760602R) were prepared by adding each at 1:160 dilution in a detection buffer containing 25 mM Tris-HCl, 250 mM NaCl, 100 mM EDTA, 0.25% BSA. Prepared beads were added to assay plate at 5 uL well and allowed to incubate protected from light, shaking, for 2 hrs at RT. Plates were read on AlphaQuest reader.
Measurement: IC50 = 2540.1 nM (pChEMBL 5.590000152587891)
Descriptors: MW 406.49, ALogP 3.36, HBA 7, HBD 2, PSA 102.74, QED 0.64
Compound (SMILES): COc1cc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)ccc1Oc1ccccc1C
InChIKey: QRCKWKVDEPQWTR-CKQQTVSASA-N
Target: Activated CDC42 kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07912
Assay: AlphaScreen Assay: Compounds of the invention were tested for ACK1 inhibition activity. 1 uL compounds prepared at 15× in 4 mM DMSO were combined with 9 uL ATP solution in assay buffer containing 50 mM Hepes, 1% glycerol, 1.665 mM MnCl2 and Poly-(GT)-Biotin (Cisbio #61GT0BLD, 1:1500 dilution) in ProxiPlate-384 Plus plate (PerkinElmer #6008280). Final DMSO concentration was 0.25% with an ATP final concentration of 100 uM. The reaction was started by adding 5 uL ACK1 solution (Carna, 15 pg/uL final in assay) in an enzyme buffer containing 50 mM Hepes, 0.24 mM EGTA, 0.024% Brij-35, 3 mM DTT, 0.01% BSA. Reaction was allowed to occur for 20 min., shaking, at RT. Anti PT66 acceptor beads and Streptavidin donor beads (PerkinElmer #6760602R) were prepared by adding each at 1:160 dilution in a detection buffer containing 25 mM Tris-HCl, 250 mM NaCl, 100 mM EDTA, 0.25% BSA. Prepared beads were added to assay plate at 5 uL well and allowed to incubate protected from light, shaking, for 2 hrs at RT. Plates were read on AlphaQuest reader.
Measurement: IC50 = 1470 nM (pChEMBL 5.829999923706055)
Descriptors: MW 430.51, ALogP 4.72, HBA 7, HBD 2, PSA 94.9, QED 0.48
Compound (SMILES): COc1cc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)ccc1Oc1cccc(F)c1
InChIKey: KTVTYVHIOHUERU-RWXRFDSASA-N
Target: Activated CDC42 kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07912
Assay: AlphaScreen Assay: Compounds of the invention were tested for ACK1 inhibition activity. 1 uL compounds prepared at 15× in 4 mM DMSO were combined with 9 uL ATP solution in assay buffer containing 50 mM Hepes, 1% glycerol, 1.665 mM MnCl2 and Poly-(GT)-Biotin (Cisbio #61GT0BLD, 1:1500 dilution) in ProxiPlate-384 Plus plate (PerkinElmer #6008280). Final DMSO concentration was 0.25% with an ATP final concentration of 100 uM. The reaction was started by adding 5 uL ACK1 solution (Carna, 15 pg/uL final in assay) in an enzyme buffer containing 50 mM Hepes, 0.24 mM EGTA, 0.024% Brij-35, 3 mM DTT, 0.01% BSA. Reaction was allowed to occur for 20 min., shaking, at RT. Anti PT66 acceptor beads and Streptavidin donor beads (PerkinElmer #6760602R) were prepared by adding each at 1:160 dilution in a detection buffer containing 25 mM Tris-HCl, 250 mM NaCl, 100 mM EDTA, 0.25% BSA. Prepared beads were added to assay plate at 5 uL well and allowed to incubate protected from light, shaking, for 2 hrs at RT. Plates were read on AlphaQuest reader.
Measurement: IC50 = 4083.1 nM (pChEMBL 5.389999866485596)
Descriptors: MW 434.47, ALogP 4.55, HBA 7, HBD 2, PSA 94.9, QED 0.48
Compound (SMILES): CCO/N=C(\C)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIKey: JLJSJVGAIRCSCT-ZMOGYAJESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 346.39, ALogP 3.02, HBA 7, HBD 0, PSA 77.56, QED 0.41
Compound (SMILES): C/C(=N\OC(C)CO)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIKey: PZTAVFJASSQNBP-AFUMVMLFSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 376.42, ALogP 2.38, HBA 8, HBD 1, PSA 97.79, QED 0.41
Compound (SMILES): C/C(=N\OCCO)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIKey: HNGUTOGRMJWZRC-ZMOGYAJESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 362.39, ALogP 2, HBA 8, HBD 1, PSA 97.79, QED 0.32
Compound (SMILES): C/C(=N\OC(CO)CO)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIKey: LPJAEEOFWDJINF-DHRITJCHSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 392.42, ALogP 1.36, HBA 9, HBD 2, PSA 118.02, QED 0.36
Compound (SMILES): C/C(=N\Oc1cccc(C(F)(F)F)c1)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIKey: XMDXMSIFYNXOCK-VWJSQJICSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 3600 nM (pChEMBL 5.440000057220459)
Descriptors: MW 462.44, ALogP 5.09, HBA 7, HBD 0, PSA 77.56, QED 0.27
Compound (SMILES): C/C(=N\Oc1ccccc1)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIKey: QKQLSSLSPQNNPB-LQKURTRISA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 394.44, ALogP 4.07, HBA 7, HBD 0, PSA 77.56, QED 0.33
Compound (SMILES): C/C(=N\OCc1ccccc1)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIKey: RXAWQHUCBIYQMM-STBIYBPSSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 440 nM (pChEMBL 6.360000133514404)
Descriptors: MW 408.47, ALogP 4.2, HBA 7, HBD 0, PSA 77.56, QED 0.31
Compound (SMILES): C/C(=N\OCCO)c1ccc2ncc(C(C)c3c(F)cc4c(cnn4C)c3F)n2n1
InChIKey: FSGDBTOPVQONBI-RPPGKUMJSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 2.8 nM (pChEMBL 8.550000190734863)
Descriptors: MW 414.42, ALogP 2.78, HBA 8, HBD 1, PSA 89.83, QED 0.3
Compound (SMILES): C/C(=N\OCCO)c1ccc2ncc(Cc3c(F)cc4c(cnn4C)c3F)n2n1
InChIKey: YOAZLHSXIYHNKX-OPEKNORGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 400.39, ALogP 2.22, HBA 8, HBD 1, PSA 89.83, QED 0.3
Compound (SMILES): C/C(=N\OCCO)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1
InChIKey: UEJFQMOMDBQXQK-KBKYJPHKSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 398.37, ALogP 2.27, HBA 8, HBD 1, PSA 97.79, QED 0.3
Compound (SMILES): C/C(=N\OCCF)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1
InChIKey: NECGVPOFFRUOAT-LUOAPIJWSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 3.8 nM (pChEMBL 8.420000076293945)
Descriptors: MW 400.36, ALogP 3.25, HBA 7, HBD 0, PSA 77.56, QED 0.28
Compound (SMILES): C/C(=N\OCCCO)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1
InChIKey: LGLDQGOCKHCCSQ-KKMKTNMSSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 412.4, ALogP 2.66, HBA 8, HBD 1, PSA 97.79, QED 0.28
Compound (SMILES): C/C(=N\OCCO)c1ccc2nnc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: JUWNDJASLZSLMP-BRJLIKDPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 380.38, ALogP 2.14, HBA 8, HBD 1, PSA 97.79, QED 0.31
Compound (SMILES): C/C(=N\OCCO)c1ccc2nnc(Cc3ccc4ncccc4c3F)n2n1
InChIKey: SXXYIJSASWDISL-BRJLIKDPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 380.38, ALogP 2.14, HBA 8, HBD 1, PSA 97.79, QED 0.31
Compound (SMILES): CCO/N=C(\C)c1ccc2nnc(C3(c4ccc5ncccc5c4)CC3)n2n1
InChIKey: OEISDDRPYWEVCT-VULFUBBASA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 153 nM (pChEMBL 6.820000171661377)
Descriptors: MW 372.43, ALogP 3.51, HBA 7, HBD 0, PSA 77.56, QED 0.4
Compound (SMILES): C/C(=N\OCCO)c1ccc2nnc(C3(c4ccc5ncccc5c4)CC3)n2n1
InChIKey: HJOCNWNBWDIRHC-VULFUBBASA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 156 nM (pChEMBL 6.809999942779541)
Descriptors: MW 388.43, ALogP 2.49, HBA 8, HBD 1, PSA 97.79, QED 0.31
Compound (SMILES): C/C(=N\OCC(N)=O)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIKey: YKLSOOZTVBOHNW-BRJLIKDPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 83 nM (pChEMBL 7.079999923706055)
Descriptors: MW 375.39, ALogP 1.49, HBA 8, HBD 1, PSA 120.65, QED 0.4
Compound (SMILES): C/C(=N\OCCO)c1ccc2nnc([C@@H](C)c3cc4cccnc4cc3F)n2n1
InChIKey: DNSKGYSFBSYETI-BYRXYEDESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 394.41, ALogP 2.7, HBA 8, HBD 1, PSA 97.79, QED 0.31
Compound (SMILES): C/C(=N\OCCO)c1ccc2nnc(Cc3ccc4ncc(N5CCN(C)CC5)cc4c3)n2n1
InChIKey: YFCXQUJKPIVRBF-STBIYBPSSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 460.54, ALogP 1.75, HBA 10, HBD 1, PSA 104.27, QED 0.25
Compound (SMILES): COCCO/N=C(\C)c1ccc2nnc(C(C)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: TYELNEXHOJMZBY-XODNFHPESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 426.43, ALogP 3.49, HBA 8, HBD 0, PSA 86.79, QED 0.26
Compound (SMILES): C/C(=N\OCCCCO)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1
InChIKey: BFKVBBCTXJHDSX-XODNFHPESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 426.43, ALogP 3.05, HBA 8, HBD 1, PSA 97.79, QED 0.26
Compound (SMILES): C/C(=N\OCCCCF)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1
InChIKey: QOTAQUQCNCNFEH-VFLNYLIXSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 42 nM (pChEMBL 7.380000114440918)
Descriptors: MW 428.42, ALogP 4.03, HBA 7, HBD 0, PSA 77.56, QED 0.24
Compound (SMILES): C/C(=N\OCCO)c1cnc2ccc(Cn3nnc4ncc(/C(C)=N/OCCO)nc43)cc2c1
InChIKey: UNTOHYPCGRVBGF-VNRWOIRSSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 464.49, ALogP 1.28, HBA 12, HBD 2, PSA 153.02, QED 0.2
Compound (SMILES): C/C(=N\OCC(=O)O)c1ccc2nnc(C(C)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: DAUMKQSIGKVWOT-LUOAPIJWSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 426.38, ALogP 2.93, HBA 8, HBD 1, PSA 114.86, QED 0.37
Compound (SMILES): C/C(=N\OC(C)(C)CO)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: ZEOLZXLNIQXJMN-DHRITJCHSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 127 nM (pChEMBL 6.900000095367432)
Descriptors: MW 391.44, ALogP 2.33, HBA 9, HBD 1, PSA 111.2, QED 0.4
Compound (SMILES): C/C(=N\OC1COC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: AEXOTKTYDHSBDK-WYMPLXKRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 375.39, ALogP 1.96, HBA 9, HBD 0, PSA 100.2, QED 0.39
Compound (SMILES): CC(N=O)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIKey: YEOURZALDRZYOO-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 337.32, ALogP 2.78, HBA 8, HBD 0, PSA 98.81, QED 0.53
Compound (SMILES): CC(N=O)c1cnc2nnn(C(C)c3c(F)cc4ncccc4c3F)c2n1
InChIKey: DRYLGEUQKOWFAZ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 369.33, ALogP 3.48, HBA 8, HBD 0, PSA 98.81, QED 0.51
Compound (SMILES): CC(N=O)c1ccc2nnc([C@@H](C)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: CLJYQQITDCCBCJ-RGURZIINSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 368.35, ALogP 3.93, HBA 7, HBD 0, PSA 85.4, QED 0.51
Compound (SMILES): C/C(=N\OCC1CC1)c1ccc2nnc([C@@H](C)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: MQFWBFIXBQBIIU-YEAWRNRESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 422.44, ALogP 4.25, HBA 7, HBD 0, PSA 77.56, QED 0.34
Compound (SMILES): C/C(=N\OC(N)=O)c1ccc2nnc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: YWAXTNRXOLQHMU-HRNIQNSLSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 0.48 nM (pChEMBL 9.319999694824219)
Descriptors: MW 411.37, ALogP 2.92, HBA 8, HBD 1, PSA 120.65, QED 0.31
Compound (SMILES): C/C(=N\OC(N)=O)c1ccc2nnc([C@@H](C)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: YWAXTNRXOLQHMU-ILEJBRPTSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 411.37, ALogP 2.92, HBA 8, HBD 1, PSA 120.65, QED 0.31
Compound (SMILES): CC(N=O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1
InChIKey: HMTMYFZNKXYUTL-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 354.32, ALogP 3.37, HBA 7, HBD 0, PSA 85.4, QED 0.52
Compound (SMILES): C/C(=N\OCCO)c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1
InChIKey: LQGWMOIBTKHFFX-ZMOGYAJESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 7.1 nM (pChEMBL 8.149999618530273)
Descriptors: MW 362.39, ALogP 2, HBA 8, HBD 1, PSA 97.79, QED 0.32
Compound (SMILES): C/C(=N\OCCO)c1ccc2ncc([C@H](C)c3cc4cccnc4cc3F)n2n1
InChIKey: GDAYFDQSHBRCBT-KGGZJZRKSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 117 nM (pChEMBL 6.929999828338623)
Descriptors: MW 393.42, ALogP 3.3, HBA 7, HBD 1, PSA 84.9, QED 0.31
Compound (SMILES): C/C(=N\OCCO)c1ccc2ncc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: XOSSPXPZHOYILG-KDRHTLKNSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 411.41, ALogP 3.44, HBA 7, HBD 1, PSA 84.9, QED 0.3
Compound (SMILES): C/C(=N\OCCO)c1cnc2nnc(C(C)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: WMVPUWBHEJLOOM-LUOAPIJWSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 413.39, ALogP 2.23, HBA 9, HBD 1, PSA 110.68, QED 0.29
Compound (SMILES): CC(N=O)c1ccc2nnc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: CLJYQQITDCCBCJ-YHMJZVADSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 368.35, ALogP 3.93, HBA 7, HBD 0, PSA 85.4, QED 0.51
Compound (SMILES): C/C(=N\OCC1CC1)c1ccc2nnc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: MQFWBFIXBQBIIU-CVVMBTDLSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 1064 nM (pChEMBL 5.96999979019165)
Descriptors: MW 422.44, ALogP 4.25, HBA 7, HBD 0, PSA 77.56, QED 0.34
Compound (SMILES): C/C(=N\OCCO)c1ccc2nnc([C@@H](C)c3cc4cnn(C)c4cc3C)n2n1
InChIKey: LPLGDAPTTKRQQY-VPWNXDJNSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 393.45, ALogP 2.2, HBA 9, HBD 1, PSA 102.72, QED 0.31
Compound (SMILES): C/C(=N\OCCO)c1ccc2nnc([C@@H](C)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: ASKREEJRSDOYKI-MMZGTNPYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 3.5 nM (pChEMBL 8.460000038146973)
Descriptors: MW 412.4, ALogP 2.84, HBA 8, HBD 1, PSA 97.79, QED 0.3
Compound (SMILES): C/C(=N\OCCO)c1ccc2nnc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: ASKREEJRSDOYKI-CXCCKGFOSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 368 nM (pChEMBL 6.429999828338623)
Descriptors: MW 412.4, ALogP 2.84, HBA 8, HBD 1, PSA 97.79, QED 0.3
Compound (SMILES): C/C(=N\OCCO)c1ccc2nnc([C@H](C)c3cc4cccnc4cc3F)n2n1
InChIKey: DNSKGYSFBSYETI-UGAMMQTDSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 137 nM (pChEMBL 6.860000133514404)
Descriptors: MW 394.41, ALogP 2.7, HBA 8, HBD 1, PSA 97.79, QED 0.31
Compound (SMILES): C/C(=N\OCC(O)CO)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIKey: JDVIAABOVWMJTC-DHRITJCHSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 59 nM (pChEMBL 7.230000019073486)
Descriptors: MW 392.42, ALogP 1.36, HBA 9, HBD 2, PSA 118.02, QED 0.36
Compound (SMILES): C/C(=N\O)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIKey: KBNLPJURVZJDPS-SSDVNMTOSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Kinase Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 3.8 nM (pChEMBL 8.420000076293945)
Descriptors: MW 318.34, ALogP 2.46, HBA 7, HBD 1, PSA 88.56, QED 0.36
Compound (SMILES): CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccc5)COC4)ccc3C)c(F)c12
InChIKey: CJLPUEJLEFQJFM-UHFFFAOYSA-N
Target: RNA-directed RNA polymerase (SINGLE PROTEIN), Hepacivirus hominis
UniProt: O39930
Assay: Enzyme Assay: HCV NS5B enzyme assay.
Measurement: IC50 = 57 nM (pChEMBL 7.239999771118164)
Descriptors: MW 552.58, ALogP 6.37, HBA 4, HBD 2, PSA 80.57, QED 0.26
Compound (SMILES): CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)COC4)ccc3C)c(F)c12
InChIKey: JAPPEDZLONAMIS-UHFFFAOYSA-N
Target: RNA-directed RNA polymerase (SINGLE PROTEIN), Hepacivirus hominis
UniProt: O39930
Assay: Enzyme Assay: HCV NS5B enzyme assay.
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 553.57, ALogP 5.76, HBA 5, HBD 2, PSA 93.46, QED 0.28
Compound (SMILES): CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)COC4)c(OC)cc3C)c(F)c12
InChIKey: DZSRQYLJHHKCLB-UHFFFAOYSA-N
Target: RNA-directed RNA polymerase (SINGLE PROTEIN), Hepacivirus hominis
UniProt: O39930
Assay: Enzyme Assay: HCV NS5B enzyme assay.
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 583.59, ALogP 5.77, HBA 6, HBD 2, PSA 102.69, QED 0.25
Compound (SMILES): CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)COC4)cc(F)c3C)c(F)c12
InChIKey: LUOJQOPPUKCNGO-UHFFFAOYSA-N
Target: RNA-directed RNA polymerase (SINGLE PROTEIN), Hepacivirus hominis
UniProt: O39930
Assay: Enzyme Assay: HCV NS5B enzyme assay.
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 571.56, ALogP 5.9, HBA 5, HBD 2, PSA 93.46, QED 0.26
Compound (SMILES): CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)COC4)ccc3C)c(F)c12
InChIKey: RLOLEIFPKFPFMB-UHFFFAOYSA-N
Target: RNA-directed RNA polymerase (SINGLE PROTEIN), Hepacivirus hominis
UniProt: O39930
Assay: Enzyme Assay: HCV NS5B enzyme assay.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 554.55, ALogP 5.16, HBA 6, HBD 2, PSA 106.35, QED 0.3
Compound (SMILES): CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)COC4)c(OC)cc3C)c(F)c12
InChIKey: IYUBRZLWHURENF-UHFFFAOYSA-N
Target: RNA-directed RNA polymerase (SINGLE PROTEIN), Hepacivirus hominis
UniProt: O39930
Assay: Enzyme Assay: HCV NS5B enzyme assay.
Measurement: IC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 584.58, ALogP 5.17, HBA 7, HBD 2, PSA 115.58, QED 0.27
Compound (SMILES): CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)COC4)cc(F)c3C)c(F)c12
InChIKey: ATMGBTIQNKGCOO-UHFFFAOYSA-N
Target: RNA-directed RNA polymerase (SINGLE PROTEIN), Hepacivirus hominis
UniProt: O39930
Assay: Enzyme Assay: HCV NS5B enzyme assay.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 572.54, ALogP 5.3, HBA 6, HBD 2, PSA 106.35, QED 0.29
Compound (SMILES): COc1ccc(Cl)cc1/C=C1\CNC(=O)CN(S(=O)(=O)c2cc(F)c(Cl)cc2OC)C1=O
InChIKey: NAJMVTNTXLQRLT-LFYBBSHMSA-N
Target: Chymase (SINGLE PROTEIN), Homo sapiens
UniProt: P23946
Assay: Inhibition Assay: Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-95, 1991).
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 503.34, ALogP 2.88, HBA 6, HBD 1, PSA 102.01, QED 0.63
Compound (SMILES): Cc1cccc(CC2CNC(=O)CN(S(=O)(=O)c3ccc(Cl)cc3)C2=O)c1
InChIKey: PKTXTZLRUWJPSL-UHFFFAOYSA-N
Target: Chymase (SINGLE PROTEIN), Homo sapiens
UniProt: P23946
Assay: Inhibition Assay: Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-95, 1991).
Measurement: IC50 = 390 nM (pChEMBL 6.409999847412109)
Descriptors: MW 406.89, ALogP 2.15, HBA 4, HBD 1, PSA 83.55, QED 0.84
Compound (SMILES): COc1ccc(Cl)cc1C[C@H]1CNC(=O)[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2)C1=O
InChIKey: CCOWSWITRLWGCS-OCCSQVGLSA-N
Target: Chymase (SINGLE PROTEIN), Homo sapiens
UniProt: P23946
Assay: Inhibition Assay: Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-95, 1991).
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 471.36, ALogP 2.9, HBA 5, HBD 1, PSA 92.78, QED 0.72
Compound (SMILES): COc1cc(Cl)c(F)cc1CC1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O
InChIKey: JSBAACLANQVSIQ-UHFFFAOYSA-N
Target: Chymase (SINGLE PROTEIN), Homo sapiens
UniProt: P23946
Assay: Inhibition Assay: Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-95, 1991).
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 475.33, ALogP 2.65, HBA 5, HBD 1, PSA 92.78, QED 0.72
Compound (SMILES): COc1ccc(Cl)cc1CC1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)c(N)c2)C1=O
InChIKey: ITJHSPGSGZPCBG-UHFFFAOYSA-N
Target: Chymase (SINGLE PROTEIN), Homo sapiens
UniProt: P23946
Assay: Inhibition Assay: Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-95, 1991).
Measurement: IC50 = 93 nM (pChEMBL 7.03000020980835)
Descriptors: MW 472.35, ALogP 2.09, HBA 6, HBD 2, PSA 118.8, QED 0.64
Compound (SMILES): COC(=O)C[C@@H]1C(=O)NC[C@H](Cc2cc(F)ccc2OC)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIKey: LDQJSOCFPMFSIX-KBXCAEBGSA-N
Target: Chymase (SINGLE PROTEIN), Homo sapiens
UniProt: P23946
Assay: Inhibition Assay: Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-95, 1991).
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 512.94, ALogP 1.93, HBA 7, HBD 1, PSA 119.08, QED 0.56
Compound (SMILES): CC[C@@H](NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIKey: CTINNEWZQMVBHY-OTOKDRCRSA-N
Target: Chymase (SINGLE PROTEIN), Homo sapiens
UniProt: P23946
Assay: Inhibition Assay: Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-95, 1991).
Measurement: IC50 = 460 nM (pChEMBL 6.340000152587891)
Descriptors: MW 544.99, ALogP 2.6, HBA 6, HBD 4, PSA 154.14, QED 0.4
Compound (SMILES): COC(=O)COc1ccc(Cl)cc1CC1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O
InChIKey: WHVPDANJNBEFKC-UHFFFAOYSA-N
Target: Chymase (SINGLE PROTEIN), Homo sapiens
UniProt: P23946
Assay: Inhibition Assay: Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-95, 1991).
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 515.37, ALogP 2.05, HBA 7, HBD 1, PSA 119.08, QED 0.56
Compound (SMILES): O=C(CN1CC(Cc2ccccc2)C(=O)N(S(=O)(=O)c2ccc(Cl)cc2)CC1=O)NCc1ccccc1
InChIKey: VDMJXSNEDOCITD-UHFFFAOYSA-N
Target: Chymase (SINGLE PROTEIN), Homo sapiens
UniProt: P23946
Assay: Inhibition Assay: Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-95, 1991).
Measurement: IC50 = 2400 nM (pChEMBL 5.619999885559082)
Descriptors: MW 540.04, ALogP 2.87, HBA 5, HBD 1, PSA 103.86, QED 0.47
Compound (SMILES): COc1ccc(Cl)cc1CC1CNC(=O)CN(C(=O)Nc2cccc(NC(C)=O)c2)C1=O
InChIKey: ZOGCSPBCOGJMDC-UHFFFAOYSA-N
Target: Chymase (SINGLE PROTEIN), Homo sapiens
UniProt: P23946
Assay: Inhibition Assay: Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-95, 1991).
Measurement: IC50 = 4700 nM (pChEMBL 5.329999923706055)
Descriptors: MW 458.9, ALogP 2.66, HBA 5, HBD 3, PSA 116.84, QED 0.64
Compound (SMILES): N#Cc1ccc(S(=O)(=O)N2CC(=O)NC/C(=C\c3ccccc3)C2=O)cc1
InChIKey: HVAMMNCPYFMNKZ-MHWRWJLKSA-N
Target: Chymase (SINGLE PROTEIN), Homo sapiens
UniProt: P23946
Assay: Inhibition Assay: Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-95, 1991).
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 381.41, ALogP 1.29, HBA 5, HBD 1, PSA 107.34, QED 0.81
Compound (SMILES): O=c1c(-c2cccnc2)c[nH]n1-c1cc(N2CCOCC2)ncn1
InChIKey: FYANMSVJCQRSAU-UHFFFAOYSA-N
Target: Transmembrane prolyl 4-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXG6
Assay: In Vitro Inhibition Assay : In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 324.34, ALogP 0.85, HBA 7, HBD 1, PSA 88.93, QED 0.77
Compound (SMILES): O=c1c(-c2ccc(Cl)nc2)c[nH]n1-c1cc(N2CCOCC2)ncn1
InChIKey: RBCIXJQGQNEZRX-UHFFFAOYSA-N
Target: Transmembrane prolyl 4-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXG6
Assay: In Vitro Inhibition Assay : In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.
Measurement: IC50 = 480 nM (pChEMBL 6.320000171661377)
Descriptors: MW 358.79, ALogP 1.51, HBA 7, HBD 1, PSA 88.93, QED 0.71
Compound (SMILES): Cc1cc(C)n(-c2cc(-n3[nH]cc(-c4cccnc4)c3=O)ncn2)n1
InChIKey: FACVNXBDFPKGOG-UHFFFAOYSA-N
Target: Transmembrane prolyl 4-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXG6
Assay: In Vitro Inhibition Assay : In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 333.36, ALogP 1.82, HBA 7, HBD 1, PSA 94.28, QED 0.62
Compound (SMILES): O=c1c(-c2cccnc2)c[nH]n1-c1nnc(-c2ccc(Cl)cc2)s1
InChIKey: GAWDPRMWKGOYSD-UHFFFAOYSA-N
Target: Transmembrane prolyl 4-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXG6
Assay: In Vitro Inhibition Assay : In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.
Measurement: IC50 = 880 nM (pChEMBL 6.059999942779541)
Descriptors: MW 355.81, ALogP 3.4, HBA 6, HBD 1, PSA 76.46, QED 0.61
Compound (SMILES): COCCN1CCN(c2cc(-n3[nH]cc(-c4cccnc4)c3=O)ncn2)CC1
InChIKey: KOLAVCBBJLWGOM-UHFFFAOYSA-N
Target: Transmembrane prolyl 4-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXG6
Assay: In Vitro Inhibition Assay : In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.
Measurement: IC50 = 890 nM (pChEMBL 6.050000190734863)
Descriptors: MW 381.44, ALogP 0.79, HBA 8, HBD 1, PSA 92.17, QED 0.67
Compound (SMILES): O=c1c(-c2cccnc2)c[nH]n1-c1cnccn1
InChIKey: XAARECBLMMZASH-UHFFFAOYSA-N
Target: Transmembrane prolyl 4-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXG6
Assay: In Vitro Inhibition Assay : In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.
Measurement: IC50 = 930 nM (pChEMBL 6.03000020980835)
Descriptors: MW 239.24, ALogP 1.02, HBA 5, HBD 1, PSA 76.46, QED 0.72
Compound (SMILES): N#Cc1cncc(-c2c[nH]n(-c3cc(N4CCCCC4)ncn3)c2=O)c1
InChIKey: NQVNDFRNCUPOKR-UHFFFAOYSA-N
Target: Transmembrane prolyl 4-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXG6
Assay: In Vitro Inhibition Assay : In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.
Measurement: IC50 = 1120 nM (pChEMBL 5.949999809265137)
Descriptors: MW 347.38, ALogP 1.88, HBA 7, HBD 1, PSA 103.49, QED 0.78
Compound (SMILES): CCN(CC)CCCCCCNc1cc(-n2[nH]cc(-c3cccnc3)c2=O)ncn1
InChIKey: LFJFFYLJVGFCMP-UHFFFAOYSA-N
Target: Transmembrane prolyl 4-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXG6
Assay: In Vitro Inhibition Assay : In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.
Measurement: IC50 = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 409.54, ALogP 3.33, HBA 7, HBD 2, PSA 91.73, QED 0.45
Compound (SMILES): O=c1c(-c2cccnc2)c[nH]n1-c1ccc(-c2ccccc2)nn1
InChIKey: YCAMWTXSGMMTNB-UHFFFAOYSA-N
Target: Transmembrane prolyl 4-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXG6
Assay: In Vitro Inhibition Assay : In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.
Measurement: IC50 = 2700 nM (pChEMBL 5.570000171661377)
Descriptors: MW 315.34, ALogP 2.68, HBA 5, HBD 1, PSA 76.46, QED 0.63
Compound (SMILES): O=c1c(-c2cccnc2)c[nH]n1-c1nc2ccccc2s1
InChIKey: BNPUVQXAERZJQN-UHFFFAOYSA-N
Target: Transmembrane prolyl 4-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXG6
Assay: In Vitro Inhibition Assay : In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.
Measurement: IC50 = 2800 nM (pChEMBL 5.550000190734863)
Descriptors: MW 294.34, ALogP 2.84, HBA 5, HBD 1, PSA 63.57, QED 0.62
Compound (SMILES): CN(C)CCOc1cc(-n2[nH]cc(-c3cccnc3)c2=O)ncn1
InChIKey: FEDLPDADOWFERE-UHFFFAOYSA-N
Target: Transmembrane prolyl 4-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXG6
Assay: In Vitro Inhibition Assay : In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.
Measurement: IC50 = 4000 nM (pChEMBL 5.400000095367432)
Descriptors: MW 326.36, ALogP 0.96, HBA 7, HBD 1, PSA 88.93, QED 0.73
Compound (SMILES): N#Cc1cncc(N2C[C@@H](S(=O)(=O)c3ccccc3Cl)C[C@H]2C(=O)N2CCOCC2)n1
InChIKey: IWFSRTKTXUHABE-RDJZCZTQSA-N
Target: Cathepsin S (SINGLE PROTEIN), Homo sapiens
UniProt: P25774
Assay: Enzyme Inhbition Assay: Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore whose emission is quenched in the intact peptide.
Measurement: IC50 = 415 nM (pChEMBL 6.380000114440918)
Descriptors: MW 461.93, ALogP 1.28, HBA 8, HBD 0, PSA 116.49, QED 0.67
Compound (SMILES): COC(=O)[C@@H]1C[C@H](S(=O)(=O)c2ccccc2Cl)CN1c1cncc(C#N)n1
InChIKey: DGEDGOBOKZZFOB-JSGCOSHPSA-N
Target: Cathepsin S (SINGLE PROTEIN), Homo sapiens
UniProt: P25774
Assay: Enzyme Inhbition Assay: Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore whose emission is quenched in the intact peptide.
Measurement: IC50 = 51 nM (pChEMBL 7.289999961853027)
Descriptors: MW 406.85, ALogP 1.6, HBA 8, HBD 0, PSA 113.25, QED 0.7
Compound (SMILES): N#Cc1cncc(N2CCC(S(=O)(=O)c3ccc(O)cc3)C2)n1
InChIKey: SMEBLRVJSARLQX-UHFFFAOYSA-N
Target: Cathepsin S (SINGLE PROTEIN), Homo sapiens
UniProt: P25774
Assay: Enzyme Inhbition Assay: Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore whose emission is quenched in the intact peptide.
Measurement: IC50 = 315 nM (pChEMBL 6.5)
Descriptors: MW 330.37, ALogP 1.11, HBA 7, HBD 1, PSA 107.18, QED 0.9