lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(C(C)(O)c3cc4cccnc4cc3F)n2n1
InChIKey: QCPVGCKJHKWSHC-OPEKNORGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 407.41, ALogP 2.06, HBA 7, HBD 3, PSA 130.79, QED 0.35
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(C(C)(O)c3ccc4ncccc4c3)n2n1
InChIKey: SPFLACRPPJLOOJ-WYMPLXKRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 66 nM (pChEMBL 7.179999828338623)
Descriptors: MW 389.42, ALogP 1.93, HBA 7, HBD 3, PSA 130.79, QED 0.36
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(C(C)c3cc4cccnc4cc3F)n2n1
InChIKey: SPWGLFJIRYKTIY-BRJLIKDPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 391.41, ALogP 2.96, HBA 6, HBD 2, PSA 110.56, QED 0.41
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](C)c3ccc4ncccc4c3)n2n1
InChIKey: OYLNUVXSYVMYHL-XNNJXTGESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 373.42, ALogP 2.82, HBA 6, HBD 2, PSA 110.56, QED 0.42
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(C(C)c3c(F)cc4c(cnn4C)c3F)n2n1
InChIKey: WLKZVXWIOJYQBS-KIBLKLHPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 412.4, ALogP 2.44, HBA 7, HBD 2, PSA 115.49, QED 0.4
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(Cc3c(F)cc4c(cnn4C)c3F)n2n1
InChIKey: YLTXBDJTRBPKHO-PGGKNCGUSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 398.38, ALogP 1.88, HBA 7, HBD 2, PSA 115.49, QED 0.4
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2nnc(C(F)(F)c3ccc4ncccc4c3)n2n1
InChIKey: DEUDJJFWDGOBNT-AUEPDCJTSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 396.36, ALogP 2.2, HBA 7, HBD 2, PSA 123.45, QED 0.4
Compound (SMILES): C/C(=N\NC(=O)CN1CCOCC1)c1ccc2nnc(C(F)(F)c3ccc4ncccc4c3)n2n1
InChIKey: OLORFKYWFLHSSB-JFLMPSFJSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 224 nM (pChEMBL 6.650000095367432)
Descriptors: MW 480.48, ALogP 1.99, HBA 9, HBD 1, PSA 109.9, QED 0.33
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIKey: HKYPKELFVJJHRM-SRZZPIQSSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 nM (pChEMBL 9)
Descriptors: MW 360.38, ALogP 1.66, HBA 7, HBD 2, PSA 123.45, QED 0.42
Compound (SMILES): C/C(=N\N(C)C(N)=O)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIKey: SVHYCASSQFYYND-WYMPLXKRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 374.41, ALogP 2, HBA 7, HBD 1, PSA 114.66, QED 0.43
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1
InChIKey: ZNRBUARCMRFUKP-NUGSKGIGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 396.36, ALogP 1.93, HBA 7, HBD 2, PSA 123.45, QED 0.4
Compound (SMILES): CNC(=O)N(C)/N=C(\C)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1
InChIKey: CWRPXOIKXFJFKF-LUOAPIJWSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 185 nM (pChEMBL 6.730000019073486)
Descriptors: MW 424.42, ALogP 2.54, HBA 7, HBD 1, PSA 100.67, QED 0.4
Compound (SMILES): C/C(=N\N(C)C(N)=O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1
InChIKey: QUXYMIKKRAWEBY-NSKAYECMSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 410.39, ALogP 2.28, HBA 7, HBD 1, PSA 114.66, QED 0.41
Compound (SMILES): CCN(/N=C(\C)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1)C(N)=O
InChIKey: CDWVKOMDMRQRSX-LUOAPIJWSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 424.42, ALogP 2.67, HBA 7, HBD 1, PSA 114.66, QED 0.39
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2nnc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: WWTQGQBYQBSKTO-LSHDLFTRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 378.37, ALogP 1.79, HBA 7, HBD 2, PSA 123.45, QED 0.41
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2nnc([C@@H](C)c3ccc4ncccc4c3)n2n1
InChIKey: SPQNZMVPLNKJOR-HMPFENIPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 374.41, ALogP 2.22, HBA 7, HBD 2, PSA 123.45, QED 0.42
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2nnc(C(C)(C)c3ccc4ncccc4c3)n2n1
InChIKey: OBLTXPZBAMQXRD-FSJBWODESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 388.44, ALogP 2.39, HBA 7, HBD 2, PSA 123.45, QED 0.41
Compound (SMILES): C/C(=N\N(C)C(N)=O)c1ccc2nnc(C(C)(C)c3ccc4ncccc4c3)n2n1
InChIKey: PSSKWHGSUXPIKI-LGJNPRDNSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 2983 nM (pChEMBL 5.53000020980835)
Descriptors: MW 402.46, ALogP 2.73, HBA 7, HBD 1, PSA 114.66, QED 0.42
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2nnc(C(C)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: CSHZVESOAIYXSL-YSURURNPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 0.5 nM (pChEMBL 9.300000190734863)
Descriptors: MW 410.39, ALogP 2.49, HBA 7, HBD 2, PSA 123.45, QED 0.4
Compound (SMILES): C/C(=N\N(C)C(N)=O)c1ccc2nnc(C3(c4ccc5ncccc5c4)CC3)n2n1
InChIKey: QHJBDFNMDSHYPW-LGJNPRDNSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 77 nM (pChEMBL 7.110000133514404)
Descriptors: MW 400.45, ALogP 2.49, HBA 7, HBD 1, PSA 114.66, QED 0.42
Compound (SMILES): C/C(=N\NC(N)=O)c1cnc2ncc(Cc3ccc4ncccc4c3)n2c1
InChIKey: QYUDECSFTWXGML-WYMPLXKRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 131 nM (pChEMBL 6.880000114440918)
Descriptors: MW 359.39, ALogP 2.26, HBA 6, HBD 2, PSA 110.56, QED 0.43
Compound (SMILES): C/C(=N\NC(N)=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: UNCRNMIHBYRLGB-LSHDLFTRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 361.37, ALogP 1.21, HBA 8, HBD 2, PSA 136.86, QED 0.41
Compound (SMILES): C/C(=N\NC(=O)CN1CCOCC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: HIYLCURYBYYMSZ-CVKSISIWSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 445.49, ALogP 0.99, HBA 10, HBD 1, PSA 123.31, QED 0.34
Compound (SMILES): C/C(=N\NC(=O)CN1CCN(C)CC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: OZDXJYYURNAXQK-JVWAILMASA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 119 nM (pChEMBL 6.920000076293945)
Descriptors: MW 458.53, ALogP 0.91, HBA 10, HBD 1, PSA 117.32, QED 0.33
Compound (SMILES): C/C(=N\NS(C)(=O)=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: HGQOSSDYXVDGBK-SRZZPIQSSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 396.44, ALogP 1.09, HBA 9, HBD 1, PSA 127.91, QED 0.39
Compound (SMILES): CC(N=N)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: CPJBMGRCRXWCCI-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 318.34, ALogP 2.91, HBA 8, HBD 1, PSA 105.59, QED 0.58
Compound (SMILES): C/C(=N\N(C)C(N)=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: BODSPDYFDMSKOO-BHGWPJFGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 0.8 nM (pChEMBL 9.100000381469727)
Descriptors: MW 375.4, ALogP 1.55, HBA 8, HBD 1, PSA 128.07, QED 0.43
Compound (SMILES): CNC(=O)N/N=C(\C)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: VKLOXRKIFWBBOQ-FOKLQQMPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 191 nM (pChEMBL 6.71999979019165)
Descriptors: MW 375.4, ALogP 1.47, HBA 8, HBD 2, PSA 122.87, QED 0.41
Compound (SMILES): CNC(=O)N(C)/N=C(\C)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: QELDZPVTQQCJAU-BRJLIKDPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 685 nM (pChEMBL 6.159999847412109)
Descriptors: MW 389.42, ALogP 1.81, HBA 8, HBD 1, PSA 114.08, QED 0.42
Compound (SMILES): CCN(/N=C(\C)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1)C(N)=O
InChIKey: IBXGWVDPIBOIHS-BRJLIKDPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 66 nM (pChEMBL 7.179999828338623)
Descriptors: MW 389.42, ALogP 1.94, HBA 8, HBD 1, PSA 128.07, QED 0.41
Compound (SMILES): CC(=O)N/N=C(\N)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: MQXKTANQHWFFQG-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 361.37, ALogP 0.57, HBA 8, HBD 2, PSA 136.86, QED 0.31
Compound (SMILES): N=C(NNC(N)=O)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: QVCYTJJTTCUAKG-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 362.36, ALogP 0.32, HBA 8, HBD 4, PSA 160.38, QED 0.23
Compound (SMILES): NC(=O)N/N=C/c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIKey: DWDLCIJZIZMMTR-DNTJNYDQSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 347.34, ALogP 0.82, HBA 8, HBD 2, PSA 136.86, QED 0.41
Compound (SMILES): C/C(=N\NC(N)=O)c1cnc2nnn(C(C)c3cc4cccnc4cc3F)c2n1
InChIKey: YIVKNZDBQVCYPW-PGGKNCGUSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 393.39, ALogP 1.91, HBA 8, HBD 2, PSA 136.86, QED 0.4
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(C(C)c3cc4cnn(C)c4cc3F)n2n1
InChIKey: QQJIDECYGWUJSX-BHGWPJFGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 394.41, ALogP 2.3, HBA 7, HBD 2, PSA 115.49, QED 0.41
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(Cc3cc4cnn(C)c4cc3F)n2n1
InChIKey: SVERZSFTVLBCKI-AUEPDCJTSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 380.39, ALogP 1.74, HBA 7, HBD 2, PSA 115.49, QED 0.41
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(Cc3ccc4c(cnn4C)c3)n2n1
InChIKey: LWERFQRCZFLYAK-SSDVNMTOSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 362.4, ALogP 1.6, HBA 7, HBD 2, PSA 115.49, QED 0.42
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(C(C)c3ccc4c(cnn4C)c3)n2n1
InChIKey: BYKXIUSYSBDUTB-FSJBWODESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 376.42, ALogP 2.16, HBA 7, HBD 2, PSA 115.49, QED 0.42
Compound (SMILES): C/C(=N\NC(N)=O)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIKey: YZNMJEGWPCNNPV-NUGSKGIGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 379.36, ALogP 1.35, HBA 8, HBD 2, PSA 136.86, QED 0.41
Compound (SMILES): CC(=O)N/N=C(\C)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIKey: JYCIOAWHVCUJGQ-AUEPDCJTSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 378.37, ALogP 1.82, HBA 8, HBD 1, PSA 110.84, QED 0.43
Compound (SMILES): COC(=O)N/N=C(\C)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIKey: IHDCXAAYKPVJBE-AUEPDCJTSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 nM (pChEMBL 9)
Descriptors: MW 394.37, ALogP 2.04, HBA 9, HBD 1, PSA 120.07, QED 0.42
Compound (SMILES): C/C(=N\NC(=O)c1ccncc1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIKey: GQNZUYWKSKMQKI-XODNFHPESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 0.5 nM (pChEMBL 9.300000190734863)
Descriptors: MW 441.43, ALogP 2.51, HBA 9, HBD 1, PSA 123.73, QED 0.33
Compound (SMILES): CCC(=O)N/N=C(\C)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIKey: BKPURHJUWXQFNS-BHGWPJFGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 392.4, ALogP 2.21, HBA 8, HBD 1, PSA 110.84, QED 0.41
Compound (SMILES): C/C(=N\NC(=O)c1cccnc1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIKey: PPTIQILOZJVIHT-XODNFHPESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 nM (pChEMBL 9)
Descriptors: MW 441.43, ALogP 2.51, HBA 9, HBD 1, PSA 123.73, QED 0.33
Compound (SMILES): CC/C(=N\NC(N)=O)c1ccc2ncc(Cc3cc4cnn(C)c4cc3F)n2n1
InChIKey: PNQSACWHCHWEDT-BUVRLJJBSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 394.41, ALogP 2.13, HBA 7, HBD 2, PSA 115.49, QED 0.4
Compound (SMILES): C/C(=N\NC(N)=O)c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1
InChIKey: VGZYIRGPXGPWOZ-FOKLQQMPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 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 360.38, ALogP 1.66, HBA 7, HBD 2, PSA 123.45, QED 0.42
Compound (SMILES): CC1(C)CC=C(c2cc([C@]3(O)C[C@@]4(CO)C=C[C@@](CO)(C3)O4)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIKey: XZKAQASUSWAVOC-KUMHGWDASA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 0.43 nM (pChEMBL 9.369999885559082)
Descriptors: MW 504.59, ALogP 3.16, HBA 7, HBD 5, PSA 151.49, QED 0.38
Compound (SMILES): CC1(C)CC=C(c2cc(C3=C[C@@]4(CO)C=C[C@@](CO)(C3)O4)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIKey: RJROWIATTDKDPU-IZLXSDGUSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 0.65 nM (pChEMBL 9.1899995803833)
Descriptors: MW 486.57, ALogP 3.96, HBA 6, HBD 4, PSA 131.26, QED 0.46
Compound (SMILES): CC1(C)CC=C(c2cc([C@H]3C[C@]4(CO)CC[C@](CO)(C3)O4)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIKey: SVOYJTLJHABSCE-CTYOKLAQSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 0.72 nM (pChEMBL 9.140000343322754)
Descriptors: MW 490.6, ALogP 4.28, HBA 6, HBD 4, PSA 131.26, QED 0.48
Compound (SMILES): CC1(C)CC=C(c2cc([C@@H]3C[C@]4(CO)CC[C@](CO)(C3)O4)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIKey: SVOYJTLJHABSCE-SDINYANESA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 0.47 nM (pChEMBL 9.329999923706055)
Descriptors: MW 490.6, ALogP 4.28, HBA 6, HBD 4, PSA 131.26, QED 0.48
Compound (SMILES): COC[C@@]12CC[C@@](COC)(C[C@@H](c3ccc(NC(=O)c4ncc(C#N)[nH]4)c(C4=CCC(C)(C)CC4)c3)C1)O2
InChIKey: WIFFVMZBWKVJMC-XYODJKDJSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 2.7 nM (pChEMBL 8.569999694824219)
Descriptors: MW 518.66, ALogP 5.59, HBA 6, HBD 2, PSA 109.26, QED 0.47
Compound (SMILES): COC[C@@]12CC[C@@](COC)(C[C@H](c3ccc(NC(=O)c4ncc(C#N)[nH]4)c(C4=CCC(C)(C)CC4)c3)C1)O2
InChIKey: WIFFVMZBWKVJMC-QCNSNUBNSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 518.66, ALogP 5.59, HBA 6, HBD 2, PSA 109.26, QED 0.47
Compound (SMILES): [C-]#[N+]c1c[nH]c(C(=O)Nc2ccc([C@@]3(O)C[C@]4(CO)CC[C@](CO)(C3)O4)cc2C2=CCC(C)(C)CC2)n1
InChIKey: CVIIVSXXUVZMTE-KUMHGWDASA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 0.42 nM (pChEMBL 9.380000114440918)
Descriptors: MW 506.6, ALogP 4.06, HBA 6, HBD 5, PSA 132.06, QED 0.38
Compound (SMILES): COC(=O)N1[C@@]2(C)C=C[C@]1(C)C[C@@](O)(c1ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCC(C)(C)CC3)c1)C2
InChIKey: JIHRICXBJJNRBW-BKHFGAQXSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 3.5 nM (pChEMBL 8.460000038146973)
Descriptors: MW 529.64, ALogP 5.26, HBA 6, HBD 3, PSA 131.34, QED 0.46
Compound (SMILES): CC1(C)CC=C(c2cc(C3C[C@](C)(CO)O[C@](C)(CO)C3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIKey: QELCUZODUVQCJI-KGPDTDBQSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 1.1 nM (pChEMBL 8.960000038146973)
Descriptors: MW 492.62, ALogP 4.52, HBA 6, HBD 4, PSA 131.26, QED 0.47
Compound (SMILES): CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1
InChIKey: BNVPFDRNGHMRJS-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 2.9 nM (pChEMBL 8.539999961853027)
Descriptors: MW 461.61, ALogP 5.97, HBA 5, HBD 2, PSA 103.69, QED 0.58
Compound (SMILES): CC1(C)CC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)n2)CC(C)(C)O1
InChIKey: HHNLZUJUHWLYCI-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 1.4 nM (pChEMBL 8.850000381469727)
Descriptors: MW 433.56, ALogP 5.34, HBA 5, HBD 2, PSA 103.69, QED 0.68
Compound (SMILES): CC1(C)CC=C(c2nc(C3C[C@](C)(CO)O[C@](C)(CO)C3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIKey: NTLVDAAELKUKKE-YZNDILABSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 0.41 nM (pChEMBL 9.390000343322754)
Descriptors: MW 493.61, ALogP 3.92, HBA 7, HBD 4, PSA 144.15, QED 0.48
Compound (SMILES): CC1(C)CC=C(c2nc(C3CC(C)(C)S(=O)(=O)C(C)(C)C3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIKey: XAHCYEBHJYPIDD-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 8.9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 509.68, ALogP 5.37, HBA 6, HBD 2, PSA 128.6, QED 0.57
Compound (SMILES): CC1(C)CC=C(c2cc(C3CC(C)(C)S(=O)(=O)C(C)(C)C3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIKey: IJHJSHFKVNEYSN-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 508.69, ALogP 5.98, HBA 5, HBD 2, PSA 115.71, QED 0.53
Compound (SMILES): CC1(C)CC=C(c2cc(C3=C[C@@H]4C=C[C@H](C3)O4)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIKey: MKUNMRWXBFKQBO-LEWJYISDSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 7.1 nM (pChEMBL 8.149999618530273)
Descriptors: MW 426.52, ALogP 5.24, HBA 4, HBD 2, PSA 90.8, QED 0.65
Compound (SMILES): CC1(C)CC=C(c2cc([C@@]3(O)CC4C=C[C@H](C3)O4)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1
InChIKey: KXPTVZLFHYVEEA-OETVIPGSSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 0.66 nM (pChEMBL 9.180000305175781)
Descriptors: MW 444.54, ALogP 4.43, HBA 5, HBD 3, PSA 111.03, QED 0.6
Compound (SMILES): C[C@@H]1C2C=C[C@@H](O2)[C@H](C)[C@@]1(O)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1
InChIKey: CHBSQOSRYIWTKH-RUASYHTCSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 472.59, ALogP 4.92, HBA 5, HBD 3, PSA 111.03, QED 0.55
Compound (SMILES): C[C@@H]1C2CC[C@@H](O2)[C@H](C)[C@@]1(O)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1
InChIKey: ZVYSJHZJAAQVSG-RUASYHTCSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 474.61, ALogP 5.15, HBA 5, HBD 3, PSA 111.03, QED 0.57
Compound (SMILES): C[C@@H]1C2(C)C=C[C@@](C)(O2)[C@H](C)[C@@]1(O)c1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1
InChIKey: RXUMFNVUTUEXDZ-FMYORNQOSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Mus musculus
UniProt: P09581
Assay: Fluorescence Polarization Competition Assay: An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
Measurement: IC50 = 99 nM (pChEMBL 7)
Descriptors: MW 500.64, ALogP 5.7, HBA 5, HBD 3, PSA 111.03, QED 0.47
Compound (SMILES): CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@H](c3ccccc3)C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O3
InChIKey: RJQUTQDJLQDJKQ-MTGQEHGPSA-N
Target: Protein kinase C alpha type (SINGLE PROTEIN), Rattus norvegicus
UniProt: P05696
Assay: Binding Assay: Binding affinity of protein kinase C (PKC).
Measurement: IC50 = 2.3 nM (pChEMBL 8.640000343322754)
Descriptors: MW 760.92, ALogP 5.15, HBA 13, HBD 3, PSA 176.51, QED 0.09
Compound (SMILES): CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@H](c3ccc(Br)cc3)C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O3
InChIKey: BCIRUCSWOBNJBR-UFRSTVMESA-N
Target: Protein kinase C alpha type (SINGLE PROTEIN), Rattus norvegicus
UniProt: P05696
Assay: Binding Assay: Binding affinity of protein kinase C (PKC).
Measurement: IC50 = 1.6 nM (pChEMBL 8.800000190734863)
Descriptors: MW 839.81, ALogP 5.91, HBA 13, HBD 3, PSA 176.51, QED 0.08
Compound (SMILES): CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@H](c3ccc(-c4ccccc4)cc3)C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O3
InChIKey: NQVLLWTYAVEQMO-VGSYVYNBSA-N
Target: Protein kinase C alpha type (SINGLE PROTEIN), Rattus norvegicus
UniProt: P05696
Assay: Binding Assay: Binding affinity of protein kinase C (PKC).
Measurement: IC50 = 3.1 nM (pChEMBL 8.510000228881836)
Descriptors: MW 837.02, ALogP 6.81, HBA 13, HBD 3, PSA 176.51, QED 0.07
Compound (SMILES): CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@H](c3ccc(CCCOCCOCC)cc3)C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O3
InChIKey: YCHHXTOJCHUHFE-PWYHEOJDSA-N
Target: Protein kinase C alpha type (SINGLE PROTEIN), Rattus norvegicus
UniProt: P05696
Assay: Binding Assay: Binding affinity of protein kinase C (PKC).
Measurement: IC50 = 3.8 nM (pChEMBL 8.420000076293945)
Descriptors: MW 891.1, ALogP 6.13, HBA 15, HBD 3, PSA 194.97, QED 0.05
Compound (SMILES): CCCCCC/C=C/c1ccc([C@@H]2C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]4(O)O[C@@H](C/C(=C\C(=O)OC)[C@@H]4OC(=O)CCCCCCC)C[C@H](CO)OC(=O)C[C@H](O)CCO2)O3)cc1
InChIKey: NUOLUCFREWSUJS-HAZNJANKSA-N
Target: Protein kinase C alpha type (SINGLE PROTEIN), Rattus norvegicus
UniProt: P05696
Assay: Binding Assay: Binding affinity of protein kinase C (PKC).
Measurement: IC50 = 4.6 nM (pChEMBL 8.34000015258789)
Descriptors: MW 871.12, ALogP 8.13, HBA 13, HBD 3, PSA 176.51, QED 0.05
Compound (SMILES): CCCCCCCCCCCC/C=C/c1ccc([C@@H]2C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]4(O)O[C@@H](C/C(=C\C(=O)OC)[C@@H]4OC(=O)CCCCCCC)C[C@H](CO)OC(=O)C[C@H](O)CCO2)O3)cc1
InChIKey: RTUFKLRSASBFEZ-GBDNGHQASA-N
Target: Protein kinase C alpha type (SINGLE PROTEIN), Rattus norvegicus
UniProt: P05696
Assay: Binding Assay: Binding affinity of protein kinase C (PKC).
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 955.28, ALogP 10.47, HBA 13, HBD 3, PSA 176.51, QED 0.03
Compound (SMILES): OC[C@H]1OC(n2cnc3c(NC4CCC[C@H]4OCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey: XSVRBMOJKPAIJX-IHORJFDXSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Oryctolagus cuniculus
UniProt: P34970
Assay: Binding Assay: The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.
Measurement: Ki = 1.72 nM (pChEMBL 8.760000228881836)
Descriptors: MW 441.49, ALogP 0.99, HBA 10, HBD 4, PSA 134.78, QED 0.42
Compound (SMILES): Cc1ccc(CO[C@H]2CCCC2Nc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
InChIKey: CSHRVAUJORCBTO-UNYIAIFGSA-N
Target: Adenosine receptor A2a (SINGLE PROTEIN), Homo sapiens
UniProt: P29274
Assay: Binding Assay: The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.
Measurement: Ki = 2530 nM (pChEMBL 5.599999904632568)
Descriptors: MW 455.52, ALogP 1.3, HBA 10, HBD 4, PSA 134.78, QED 0.42
Compound (SMILES): OC[C@H]1OC(n2cnc3c(NC4CCCCC4OCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey: JNBXZKKJHPLGEA-DEPJIMBQSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Oryctolagus cuniculus
UniProt: O02667
Assay: Binding Assay: The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.
Measurement: Ki = 2550 nM (pChEMBL 5.590000152587891)
Descriptors: MW 455.52, ALogP 1.38, HBA 10, HBD 4, PSA 134.78, QED 0.42
Compound (SMILES): Cc1cccc(CO[C@H]2CCCC2Nc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
InChIKey: UAVGEMJRCCWMEI-UNYIAIFGSA-N
Target: Adenosine receptor A2a (SINGLE PROTEIN), Homo sapiens
UniProt: P29274
Assay: Binding Assay: The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 455.52, ALogP 1.3, HBA 10, HBD 4, PSA 134.78, QED 0.42
Compound (SMILES): Cc1nc(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)c2ccsc2n1
InChIKey: YPWSLAWIRVOTGF-LJQANCHMSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an amino acid side chain of a commercially available peptide (amino acid sequence EVPRRKSLVGTPYWM).
Measurement: Ki = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 491.62, ALogP 4.96, HBA 8, HBD 2, PSA 99.27, QED 0.39
Compound (SMILES): CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2ccnc(C#N)n2)C1(C)C)c1ccccc1
InChIKey: UQHBHFFBUUMTEZ-QGZVFWFLSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an amino acid side chain of a commercially available peptide (amino acid sequence EVPRRKSLVGTPYWM).
Measurement: Ki = 8.8 nM (pChEMBL 8.0600004196167)
Descriptors: MW 446.52, ALogP 3.31, HBA 8, HBD 2, PSA 123.06, QED 0.59
Compound (SMILES): Cc1cc2c(Nc3[nH]nc4c3CN(C(=O)O[C@H](CN(C)C)c3ccccc3)C4(C)C)ncnc2s1
InChIKey: ZDCCKGPRLDRHEU-LJQANCHMSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an amino acid side chain of a commercially available peptide (amino acid sequence EVPRRKSLVGTPYWM).
Measurement: Ki = 5.2 nM (pChEMBL 8.279999732971191)
Descriptors: MW 491.62, ALogP 4.96, HBA 8, HBD 2, PSA 99.27, QED 0.39
Compound (SMILES): CCOc1ncc(F)c(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)n1
InChIKey: JUDTUVITIPZDFH-GOSISDBHSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an amino acid side chain of a commercially available peptide (amino acid sequence EVPRRKSLVGTPYWM).
Measurement: Ki = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 483.55, ALogP 3.97, HBA 8, HBD 2, PSA 108.5, QED 0.5
Compound (SMILES): Cc1nc(Nc2[nH]nc3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1
InChIKey: CCNKMWQPDMCTAM-LJQANCHMSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an amino acid side chain of a commercially available peptide (amino acid sequence EVPRRKSLVGTPYWM).
Measurement: Ki = 1.6 nM (pChEMBL 8.800000190734863)
Descriptors: MW 491.62, ALogP 4.96, HBA 8, HBD 2, PSA 99.27, QED 0.39
Compound (SMILES): CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2nc(C#N)nc3ccccc23)C1(C)C)c1ccccc1
InChIKey: GIMPURVXYMDEBA-OAQYLSRUSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an amino acid side chain of a commercially available peptide (amino acid sequence EVPRRKSLVGTPYWM).
Measurement: Ki = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 496.58, ALogP 4.46, HBA 8, HBD 2, PSA 123.06, QED 0.4
Compound (SMILES): CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2Nc2ncnc3sccc23)C1(C)C)c1ccccc1
InChIKey: XXKGDIQXCWLQED-GOSISDBHSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an amino acid side chain of a commercially available peptide (amino acid sequence EVPRRKSLVGTPYWM).
Measurement: Ki = 5.2 nM (pChEMBL 8.279999732971191)
Descriptors: MW 477.59, ALogP 4.65, HBA 8, HBD 2, PSA 99.27, QED 0.42