lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(OCCCO)c3)s2)nn1
InChIKey: AVMLVBGWXKXGSF-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 560.68, ALogP 4.02, HBA 9, HBD 3, PSA 139.22, QED 0.19
Compound (SMILES): O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)o2)o1
InChIKey: DZTLTBFMHGSANB-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 460.49, ALogP 3.38, HBA 8, HBD 2, PSA 136.04, QED 0.33
Compound (SMILES): O=C(Cc1cccnc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3cccnc3)s2)s1
InChIKey: RMACJIPLWPOQMD-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 480 nM (pChEMBL 6.320000171661377)
Descriptors: MW 526.67, ALogP 3.06, HBA 11, HBD 2, PSA 135.54, QED 0.27
Compound (SMILES): O=C(Cc1cccc2cnccc12)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc4cnccc34)s2)s1
InChIKey: QMOGUHKMXLJARZ-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 594.73, ALogP 5.41, HBA 10, HBD 2, PSA 135.54, QED 0.19
Compound (SMILES): O=C(Cc1cccc2[nH]ncc12)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc4[nH]ncc34)s2)s1
InChIKey: BGGGHRXBIXQRCP-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 572.68, ALogP 4.07, HBA 10, HBD 4, PSA 167.12, QED 0.17
Compound (SMILES): O=C(Cc1cccc2ncccc12)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc4ncccc34)s2)s1
InChIKey: OMRNKGOUBIQILG-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 594.73, ALogP 5.41, HBA 10, HBD 2, PSA 135.54, QED 0.19
Compound (SMILES): CCCCS(=O)(=O)Cc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
InChIKey: ORUUAQUZHRIPKH-UHFFFAOYSA-N
Target: Glutaminase kidney isoform, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O94925
Assay: Enzyme Assay-Time Dependence: Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 620.8, ALogP 4.97, HBA 9, HBD 2, PSA 143.9, QED 0.17
Compound (SMILES): [C-]#[N+]C1=C(C)N=C(C)C(C#N)C1c1cc2c(N)nccc2o1
InChIKey: UNZVZFYMTAXDSR-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Tyrosine Kinase Activity Assay: Tyrosine kinase activity assay (NADH Read-Out)using human c-Met protein (Invitrogen, Carlsbad, Calif., USA). The amount of phosphorylated substrate is evaluated by measurement of the decrease of NADH fluorescence.
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 291.31, ALogP 3.26, HBA 5, HBD 1, PSA 92.56, QED 0.82
Compound (SMILES): [C-]#[N+]C1C(C)=NC(C(F)F)=C(C#N)C1c1cc2c(N)nccc2o1
InChIKey: IGOZHMVYVXYCSV-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Tyrosine Kinase Activity Assay: Tyrosine kinase activity assay (NADH Read-Out)using human c-Met protein (Invitrogen, Carlsbad, Calif., USA). The amount of phosphorylated substrate is evaluated by measurement of the decrease of NADH fluorescence.
Measurement: IC50 = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 327.29, ALogP 3.3, HBA 5, HBD 1, PSA 92.56, QED 0.86
Compound (SMILES): [C-]#[N+]C1=C(c2ccc(Cl)cc2)N=C(C)C(C#N)C1c1cc2c(N)nccc2o1
InChIKey: IQLBUVWIQGOXIY-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Tyrosine Kinase Activity Assay: Tyrosine kinase activity assay (NADH Read-Out)using human c-Met protein (Invitrogen, Carlsbad, Calif., USA). The amount of phosphorylated substrate is evaluated by measurement of the decrease of NADH fluorescence.
Measurement: IC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 387.83, ALogP 5.05, HBA 5, HBD 1, PSA 92.56, QED 0.62
Compound (SMILES): [C-]#[N+]C1C(C)=NC2=C(C(=O)OC2)C1c1cc2c(NC(=O)c3ccccc3)nccc2o1
InChIKey: VFNOPSPJFUZFBO-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Tyrosine Kinase Activity Assay: Tyrosine kinase activity assay (NADH Read-Out)using human c-Met protein (Invitrogen, Carlsbad, Calif., USA). The amount of phosphorylated substrate is evaluated by measurement of the decrease of NADH fluorescence.
Measurement: IC50 = 142 nM (pChEMBL 6.849999904632568)
Descriptors: MW 412.41, ALogP 3.74, HBA 6, HBD 1, PSA 98.15, QED 0.52
Compound (SMILES): [C-]#[N+]C1=C2COCCN2C(C)=C(C#N)[C@H]1c1cc2c(N)nccc2o1
InChIKey: JOCPRJFVOZKVIF-INIZCTEOSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Tyrosine Kinase Activity Assay: Tyrosine kinase activity assay (NADH Read-Out)using human c-Met protein (Invitrogen, Carlsbad, Calif., USA). The amount of phosphorylated substrate is evaluated by measurement of the decrease of NADH fluorescence.
Measurement: IC50 = 610 nM (pChEMBL 6.210000038146973)
Descriptors: MW 333.35, ALogP 2.77, HBA 6, HBD 1, PSA 92.67, QED 0.81
Compound (SMILES): [C-]#[N+]C1=C(c2ccc(Cl)cc2)N=C2COC(=O)C2[C@H]1c1cc2c(N)nccc2o1
InChIKey: OMJKVGUSBLXXFM-ZYMOGRSISA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Tyrosine Kinase Activity Assay: Tyrosine kinase activity assay (NADH Read-Out)using human c-Met protein (Invitrogen, Carlsbad, Calif., USA). The amount of phosphorylated substrate is evaluated by measurement of the decrease of NADH fluorescence.
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 404.81, ALogP 4.06, HBA 6, HBD 1, PSA 95.07, QED 0.51
Compound (SMILES): Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIKey: QGQSUXJUUKXHMI-VWNXMTODSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 132 nM (pChEMBL 6.880000114440918)
Descriptors: MW 496.7, ALogP 4.81, HBA 5, HBD 0, PSA 56.33, QED 0.6
Compound (SMILES): Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIKey: QGQSUXJUUKXHMI-ISKFKSNPSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 248 nM (pChEMBL 6.610000133514404)
Descriptors: MW 496.7, ALogP 4.81, HBA 5, HBD 0, PSA 56.33, QED 0.6
Compound (SMILES): Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIKey: QGQSUXJUUKXHMI-LADGPHEKSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 496.7, ALogP 4.81, HBA 5, HBD 0, PSA 56.33, QED 0.6
Compound (SMILES): Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIKey: QGQSUXJUUKXHMI-UPVQGACJSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 496.7, ALogP 4.81, HBA 5, HBD 0, PSA 56.33, QED 0.6
Compound (SMILES): Cc1cc(N2CCC(N3CCCC3C)C2)ccc1N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIKey: QGQSUXJUUKXHMI-UHFFFAOYSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 18 nM (pChEMBL 7.75)
Descriptors: MW 496.7, ALogP 4.81, HBA 5, HBD 0, PSA 56.33, QED 0.6
Compound (SMILES): Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCC2(CCNCC2)C1=O
InChIKey: FWDIGXJMBTVNDB-FPOVZHCZSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 396.58, ALogP 3.16, HBA 4, HBD 1, PSA 38.82, QED 0.85
Compound (SMILES): Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1N1CCC2(CCNCC2)C1=O
InChIKey: FWDIGXJMBTVNDB-TZIWHRDSSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 396.58, ALogP 3.16, HBA 4, HBD 1, PSA 38.82, QED 0.85
Compound (SMILES): Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1N1CCC2(CCNCC2)C1=O
InChIKey: FWDIGXJMBTVNDB-CTNGQTDRSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.8 nM (pChEMBL 9.100000381469727)
Descriptors: MW 396.58, ALogP 3.16, HBA 4, HBD 1, PSA 38.82, QED 0.85
Compound (SMILES): Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1N1CCC2(CCNCC2)C1=O
InChIKey: FWDIGXJMBTVNDB-PZJWPPBQSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 396.58, ALogP 3.16, HBA 4, HBD 1, PSA 38.82, QED 0.85
Compound (SMILES): Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1N1CCC2(CCN(CC3CCCC3)CC2)C1=O
InChIKey: UCQHMKNEBFAFCZ-SQHAQQRYSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 478.73, ALogP 5.07, HBA 4, HBD 0, PSA 30.03, QED 0.59
Compound (SMILES): Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1N1CCC2(CCN(CC3CCCC3)CC2)C1=O
InChIKey: UCQHMKNEBFAFCZ-SHQCIBLASA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 478.73, ALogP 5.07, HBA 4, HBD 0, PSA 30.03, QED 0.59
Compound (SMILES): Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1N1CCC2(CCN(CC3CCCC3)CC2)C1=O
InChIKey: UCQHMKNEBFAFCZ-RPLLCQBOSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.8 nM (pChEMBL 9.100000381469727)
Descriptors: MW 478.73, ALogP 5.07, HBA 4, HBD 0, PSA 30.03, QED 0.59
Compound (SMILES): Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCC2(CCN(CC3CCCC3)CC2)C1=O
InChIKey: UCQHMKNEBFAFCZ-IGKIAQTJSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.8 nM (pChEMBL 9.100000381469727)
Descriptors: MW 478.73, ALogP 5.07, HBA 4, HBD 0, PSA 30.03, QED 0.59
Compound (SMILES): Cc1cc(N2CCC(N3CCCC3C)C2)ccc1N1CCC2(CCN(CC3CCCC3)CC2)C1=O
InChIKey: UCQHMKNEBFAFCZ-UHFFFAOYSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 5.6 nM (pChEMBL 8.25)
Descriptors: MW 478.73, ALogP 5.07, HBA 4, HBD 0, PSA 30.03, QED 0.59
Compound (SMILES): Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1N1CCC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O
InChIKey: BFYZNAOKDWKLBO-BVAGGSTKSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 118 nM (pChEMBL 6.929999828338623)
Descriptors: MW 584.68, ALogP 5.62, HBA 5, HBD 0, PSA 56.33, QED 0.46
Compound (SMILES): Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1N1CCC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O
InChIKey: BFYZNAOKDWKLBO-ZEQKJWHPSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 100 nM (pChEMBL 7)
Descriptors: MW 584.68, ALogP 5.62, HBA 5, HBD 0, PSA 56.33, QED 0.46
Compound (SMILES): Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1N1CCC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O
InChIKey: BFYZNAOKDWKLBO-JYFHCDHNSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 1.4 nM (pChEMBL 8.850000381469727)
Descriptors: MW 584.68, ALogP 5.62, HBA 5, HBD 0, PSA 56.33, QED 0.46
Compound (SMILES): Cc1cc(N2CCC(N3CCCC3C)C2)ccc1N1CCC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O
InChIKey: BFYZNAOKDWKLBO-UHFFFAOYSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 6.2 nM (pChEMBL 8.210000038146973)
Descriptors: MW 584.68, ALogP 5.62, HBA 5, HBD 0, PSA 56.33, QED 0.46
Compound (SMILES): Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O
InChIKey: BFYZNAOKDWKLBO-OZXSUGGESA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 1.4 nM (pChEMBL 8.850000381469727)
Descriptors: MW 584.68, ALogP 5.62, HBA 5, HBD 0, PSA 56.33, QED 0.46
Compound (SMILES): Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIKey: CNCGTAOYBMSNPM-ZCYQVOJMSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 6.8 nM (pChEMBL 8.170000076293945)
Descriptors: MW 510.72, ALogP 5.2, HBA 5, HBD 0, PSA 56.33, QED 0.56
Compound (SMILES): C[C@H]1CCCN1[C@H]1CCN(c2ccc(N3CCCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)cc2)C1
InChIKey: QNYDPNGQBVYUBB-DHLKQENFSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 7.3 nM (pChEMBL 8.140000343322754)
Descriptors: MW 496.7, ALogP 4.89, HBA 5, HBD 0, PSA 56.33, QED 0.6
Compound (SMILES): CC(C)(C)OC(=O)N1CCC2(CCCN(c3ccc(N4CC[C@H](N5CCCC5)C4)cc3F)C2=O)CC1
InChIKey: UADXMEPSNMRPAA-QFIPXVFZSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.03 nM (pChEMBL 10.520000457763672)
Descriptors: MW 500.66, ALogP 4.64, HBA 5, HBD 0, PSA 56.33, QED 0.61
Compound (SMILES): Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCNCC2)C1=O
InChIKey: FSKJHDYTJDGTJD-UNMCSNQZSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.07 nM (pChEMBL 10.149999618530273)
Descriptors: MW 410.61, ALogP 3.55, HBA 4, HBD 1, PSA 38.82, QED 0.83
Compound (SMILES): C[C@H]1CCCN1[C@H]1CCN(c2ccc(N3CCCC4(CCNCC4)C3=O)cc2)C1
InChIKey: RYMSCPNGKFAFTD-UGKGYDQZSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.1 nM (pChEMBL 10)
Descriptors: MW 396.58, ALogP 3.25, HBA 4, HBD 1, PSA 38.82, QED 0.85
Compound (SMILES): C[C@H]1CCCN1[C@H]1CCN(c2ccc(N3CCCC4(CCNCC4)C3=O)c(F)c2)C1
InChIKey: NMXQZQXMDCSPDO-ICSRJNTNSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.06 nM (pChEMBL 10.220000267028809)
Descriptors: MW 414.57, ALogP 3.39, HBA 4, HBD 1, PSA 38.82, QED 0.82
Compound (SMILES): Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCN(C(=O)c3ccncc3)CC2)C1=O
InChIKey: GJRWEFJYANVHJM-IGKIAQTJSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 515.7, ALogP 4.5, HBA 5, HBD 0, PSA 59.99, QED 0.6
Compound (SMILES): Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCN(C(=O)c3ccoc3)CC2)C1=O
InChIKey: GDEQMKGPLQTDES-OZXSUGGESA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 1.6 nM (pChEMBL 8.800000190734863)
Descriptors: MW 504.68, ALogP 4.7, HBA 5, HBD 0, PSA 60.24, QED 0.6
Compound (SMILES): C[C@H]1CCCN1[C@H]1CCN(c2ccc(N3CCCC4(CCN(C(=O)c5ccccc5)CC4)C3=O)cc2)C1
InChIKey: QXVXPHKFMXNRHP-CUBQBAPOSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.5 nM (pChEMBL 9.300000190734863)
Descriptors: MW 500.69, ALogP 4.8, HBA 4, HBD 0, PSA 47.1, QED 0.61
Compound (SMILES): C[C@H]1CCCN1[C@H]1CCN(c2ccc(N3CCCC4(CCN(C(=O)c5ccc(F)cc5)CC4)C3=O)cc2)C1
InChIKey: BBRBEHRHMJYOKN-FIPFOOKPSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 518.68, ALogP 4.94, HBA 4, HBD 0, PSA 47.1, QED 0.58
Compound (SMILES): C[C@H]1CCCN1[C@H]1CCN(c2ccc(N3CCCC4(CCN(C(=O)C5CCCCC5)CC4)C3=O)c(F)c2)C1
InChIKey: ULEOMEGBKHPHCF-OZXSUGGESA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 524.73, ALogP 5.2, HBA 4, HBD 0, PSA 47.1, QED 0.54
Compound (SMILES): C[C@H]1CCCN1[C@H]1CCN(c2ccc(N3CCCC4(CCN(C(=O)C5CCOCC5)CC4)C3=O)c(F)c2)C1
InChIKey: ICTMQFIKZRATLG-DHLKQENFSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 526.7, ALogP 4.05, HBA 5, HBD 0, PSA 56.33, QED 0.59
Compound (SMILES): Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCN(C(C)C)CC2)C1=O
InChIKey: SKEBYXSQCOGREK-ZCYQVOJMSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 452.69, ALogP 4.68, HBA 4, HBD 0, PSA 30.03, QED 0.66
Compound (SMILES): Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCN(CC3CCCCC3)CC2)C1=O
InChIKey: NMUZOIPKNBIZNE-WNJJXGMVSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 506.78, ALogP 5.85, HBA 4, HBD 0, PSA 30.03, QED 0.5
Compound (SMILES): C[C@H]1CCCN1[C@H]1CCN(c2ccc(N3CCCC4(CCN(CC5CC5)CC4)C3=O)cc2)C1
InChIKey: XJXJPAVAMSBCQC-NVQXNPDNSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 450.67, ALogP 4.37, HBA 4, HBD 0, PSA 30.03, QED 0.67
Compound (SMILES): C[C@H]1CCCN1[C@H]1CCN(c2ccc(N3CCCC4(CCN(C5CCOCC5)CC4)C3=O)cc2)C1
InChIKey: ZOYKMWVTQGZHST-HOFKKMOUSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.04 nM (pChEMBL 10.399999618530273)
Descriptors: MW 480.7, ALogP 4.14, HBA 5, HBD 0, PSA 39.26, QED 0.65
Compound (SMILES): C[C@H]1CCCN1[C@H]1CCN(c2ccc(N3CCCC4(CCN(Cc5ccccc5)CC4)C3=O)c(F)c2)C1
InChIKey: PMVGIMUYHZHQJC-IGKIAQTJSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.06 nM (pChEMBL 10.220000267028809)
Descriptors: MW 504.69, ALogP 5.3, HBA 4, HBD 0, PSA 30.03, QED 0.55
Compound (SMILES): C[C@H]1CCCN1[C@H]1CCN(c2ccc(N3CCCC4(CCN(Cc5ccco5)CC4)C3=O)c(F)c2)C1
InChIKey: YMSWECYGNFJHMR-UPVQGACJSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.1 nM (pChEMBL 10)
Descriptors: MW 494.66, ALogP 4.89, HBA 5, HBD 0, PSA 43.17, QED 0.59
Compound (SMILES): C[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(C(F)(F)F)c2)CC1
InChIKey: HGBVOBYWCCNENZ-NRFANRHFSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.9 nM (pChEMBL 9.050000190734863)
Descriptors: MW 564.69, ALogP 5.91, HBA 5, HBD 0, PSA 56.33, QED 0.46
Compound (SMILES): C[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(F)c2)CC1
InChIKey: LUUREPLIWHHQDE-NRFANRHFSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 514.69, ALogP 5.03, HBA 5, HBD 0, PSA 56.33, QED 0.57
Compound (SMILES): C[C@H]1CCCCN1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)cc2)C1
InChIKey: DDHXMVMNWMBNTK-DHLKQENFSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 5.6 nM (pChEMBL 8.25)
Descriptors: MW 496.7, ALogP 4.89, HBA 5, HBD 0, PSA 56.33, QED 0.6
Compound (SMILES): C[C@H]1CCCCN1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(C(F)(F)F)c2)C1
InChIKey: JUZWOJQHVONRPX-GMAHTHKFSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 64 nM (pChEMBL 7.190000057220459)
Descriptors: MW 564.69, ALogP 5.91, HBA 5, HBD 0, PSA 56.33, QED 0.46
Compound (SMILES): C[C@H]1CCCCN1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(F)c2)C1
InChIKey: BUANHUJQTZLXSX-GMAHTHKFSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 4.3 nM (pChEMBL 8.369999885559082)
Descriptors: MW 514.69, ALogP 5.03, HBA 5, HBD 0, PSA 56.33, QED 0.57
Compound (SMILES): C[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCNCC4)C3=O)cc2)CC1
InChIKey: ALZYMNLQSWGANO-IBGZPJMESA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.1 nM (pChEMBL 10)
Descriptors: MW 396.58, ALogP 3.25, HBA 4, HBD 1, PSA 38.82, QED 0.85
Compound (SMILES): C[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCNCC4)C3=O)c(C(F)(F)F)c2)CC1
InChIKey: PRGGSWBLJSNMLI-SFHVURJKSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.15 nM (pChEMBL 9.819999694824219)
Descriptors: MW 464.58, ALogP 4.27, HBA 4, HBD 1, PSA 38.82, QED 0.73
Compound (SMILES): C[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCNCC4)C3=O)c(F)c2)CC1
InChIKey: BJEZXYMRJAEWKM-SFHVURJKSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.1 nM (pChEMBL 10)
Descriptors: MW 414.57, ALogP 3.39, HBA 4, HBD 1, PSA 38.82, QED 0.82
Compound (SMILES): C[C@H]1CCCCN1[C@H]1CCN(c2ccc(N3CCC4(CCNCC4)C3=O)cc2)C1
InChIKey: WLTLNZRJLAWSMC-UGKGYDQZSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 396.58, ALogP 3.25, HBA 4, HBD 1, PSA 38.82, QED 0.85
Compound (SMILES): C[C@H]1CCCCN1[C@H]1CCN(c2ccc(N3CCC4(CCNCC4)C3=O)c(C(F)(F)F)c2)C1
InChIKey: RRLWOPKXNIWSER-ICSRJNTNSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 464.58, ALogP 4.27, HBA 4, HBD 1, PSA 38.82, QED 0.73
Compound (SMILES): C[C@H]1CCCCN1[C@H]1CCN(c2ccc(N3CCC4(CCNCC4)C3=O)c(F)c2)C1
InChIKey: RPKFQOHFLHMANE-ICSRJNTNSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.5 nM (pChEMBL 9.300000190734863)
Descriptors: MW 414.57, ALogP 3.39, HBA 4, HBD 1, PSA 38.82, QED 0.82
Compound (SMILES): C[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(S(=O)(=O)c5ccccc5)CC4)C3=O)cc2)CC1
InChIKey: JYGAXAVLOAJTOP-DEOSSOPVSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.24 nM (pChEMBL 9.619999885559082)
Descriptors: MW 536.74, ALogP 4.35, HBA 5, HBD 0, PSA 64.17, QED 0.57
Compound (SMILES): C[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(C(=O)c5ccc(F)cc5)CC4)C3=O)cc2)CC1
InChIKey: ORMNFPDDUZBUJR-QHCPKHFHSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.08 nM (pChEMBL 10.100000381469727)
Descriptors: MW 518.68, ALogP 4.94, HBA 4, HBD 0, PSA 47.1, QED 0.58
Compound (SMILES): C[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(C(=O)C5CCCCC5)CC4)C3=O)c(F)c2)CC1
InChIKey: ZWZSOHBMOTYKFF-QHCPKHFHSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 524.73, ALogP 5.2, HBA 4, HBD 0, PSA 47.1, QED 0.54
Compound (SMILES): C[C@H]1CCCCN1[C@H]1CCN(c2ccc(N3CCC4(CCN(S(=O)(=O)c5ccc(F)cc5)CC4)C3=O)cc2)C1
InChIKey: FAQKUKDPVKOSEV-HOFKKMOUSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 554.73, ALogP 4.49, HBA 5, HBD 0, PSA 64.17, QED 0.55
Compound (SMILES): C[C@H]1CCCCN1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)C5CCOCC5)CC4)C3=O)cc2)C1
InChIKey: XNXRNNXYLYEHNX-HOFKKMOUSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 3.3 nM (pChEMBL 8.479999542236328)
Descriptors: MW 508.71, ALogP 3.91, HBA 5, HBD 0, PSA 56.33, QED 0.62
Compound (SMILES): C[C@H]1CCCCN1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)C5CCCC5)CC4)C3=O)c(C(F)(F)F)c2)C1
InChIKey: WSNSLJODPHJFTE-DHLKQENFSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 2.1 nM (pChEMBL 8.680000305175781)
Descriptors: MW 560.71, ALogP 5.69, HBA 4, HBD 0, PSA 47.1, QED 0.47
Compound (SMILES): C[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(CC5CC5)CC4)C3=O)c(F)c2)CC1
InChIKey: QQBVWFYKJQXXBM-NRFANRHFSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.04 nM (pChEMBL 10.399999618530273)
Descriptors: MW 468.66, ALogP 4.51, HBA 4, HBD 0, PSA 30.03, QED 0.64
Compound (SMILES): C[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCN(CC5CCCC5)CC4)C3=O)c(F)c2)CC1
InChIKey: PCUDMIQWRAJEOI-QHCPKHFHSA-N
Target: Histamine receptor H3 (SINGLE PROTEIN), Macaca mulatta
UniProt: Q865E1
Assay: Radioligand Binding Assay: The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor. Additionally, the compounds of this invention have been demonstrated by GTPγS radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
Measurement: Ki = 0.1 nM (pChEMBL 10)
Descriptors: MW 496.72, ALogP 5.29, HBA 4, HBD 0, PSA 30.03, QED 0.55