lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): N#Cc1cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc2c1NCC1CCCCC1
InChIKey: MABFAMPSXOWTTI-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 1055 nM (pChEMBL 5.980000019073486)
Descriptors: MW 565.62, ALogP 5.37, HBA 6, HBD 2, PSA 99.81, QED 0.29
Compound (SMILES): CN(Cc1ccccc1)c1c(C#N)cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: KPIUZMFNSPRRFM-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 184 nM (pChEMBL 6.739999771118164)
Descriptors: MW 573.6, ALogP 5.01, HBA 6, HBD 1, PSA 91.02, QED 0.28
Compound (SMILES): CN(CC1CCCCC1)c1c(C#N)cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: XTVTVIJEHIXSOY-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 683 nM (pChEMBL 6.170000076293945)
Descriptors: MW 579.65, ALogP 5.39, HBA 6, HBD 1, PSA 91.02, QED 0.3
Compound (SMILES): CCN(CC)c1c(C#N)cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: HBFLPXDXWSPBDO-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 276 nM (pChEMBL 6.559999942779541)
Descriptors: MW 525.56, ALogP 4.22, HBA 6, HBD 1, PSA 91.02, QED 0.37
Compound (SMILES): CC(C)N(C)c1c(C#N)cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: WORZWTXTHVWSSP-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 148 nM (pChEMBL 6.829999923706055)
Descriptors: MW 525.56, ALogP 4.22, HBA 6, HBD 1, PSA 91.02, QED 0.38
Compound (SMILES): N#Cc1cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc2c1NCc1ccccc1
InChIKey: VINWVJCYAMLLJQ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 871 nM (pChEMBL 6.059999942779541)
Descriptors: MW 559.58, ALogP 4.99, HBA 6, HBD 2, PSA 99.81, QED 0.27
Compound (SMILES): CCN(C)c1c(C#N)cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: JTPVBAMVVHIWKZ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 77 nM (pChEMBL 7.110000133514404)
Descriptors: MW 511.53, ALogP 3.83, HBA 6, HBD 1, PSA 91.02, QED 0.4
Compound (SMILES): CC(C)Nc1c(C#N)cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: KZECIDHONWPEIV-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 147 nM (pChEMBL 6.829999923706055)
Descriptors: MW 511.53, ALogP 4.2, HBA 6, HBD 2, PSA 99.81, QED 0.38
Compound (SMILES): CNc1c(C#N)cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: DDTOLCKCSPNJGZ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 483.48, ALogP 3.42, HBA 6, HBD 2, PSA 99.81, QED 0.42
Compound (SMILES): CN(CCc1ccccc1)c1c(C#N)cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: QCLQVIFLFAAENY-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 414 nM (pChEMBL 6.380000114440918)
Descriptors: MW 587.63, ALogP 5.06, HBA 6, HBD 1, PSA 91.02, QED 0.26
Compound (SMILES): O=C(NCC#Cc1ccc2ncc(NC3CCN(CCO)CC3)nc2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: KOTRYDRYPCQTNM-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 573.6, ALogP 2.16, HBA 9, HBD 3, PSA 125.27, QED 0.27
Compound (SMILES): CNc1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c(C)c12
InChIKey: OAWMBDDFSQFBGT-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 473.48, ALogP 3.25, HBA 6, HBD 2, PSA 88.91, QED 0.43
Compound (SMILES): Cc1c(C#CCNC(=O)c2cncn(Cc3ccc(F)c(F)c3)c2=O)ccc2ncc(NCCCN(C)C)nc12
InChIKey: ILEBCEXIUDXADY-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 545.59, ALogP 2.97, HBA 8, HBD 2, PSA 105.04, QED 0.25
Compound (SMILES): COc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: PEUISQNNVJDSMS-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 461.43, ALogP 2.3, HBA 7, HBD 1, PSA 99, QED 0.46
Compound (SMILES): CNc1ncnc2ccc(C#CCNC(=O)c3c(C)n(C)n(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: ZTXDZSKSYZQYDW-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 68 nM (pChEMBL 7.170000076293945)
Descriptors: MW 476.49, ALogP 2.59, HBA 7, HBD 2, PSA 93.84, QED 0.43
Compound (SMILES): CN(C)CCN(C)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1
InChIKey: CIHLWOLMYSQGMF-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 88 nM (pChEMBL 7.059999942779541)
Descriptors: MW 531.57, ALogP 2.29, HBA 8, HBD 1, PSA 96.25, QED 0.35
Compound (SMILES): CN(C)CCCOc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: MFBWHMJOEBEUCQ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 103 nM (pChEMBL 6.989999771118164)
Descriptors: MW 532.55, ALogP 2.63, HBA 8, HBD 1, PSA 102.24, QED 0.26
Compound (SMILES): Nc1ncnc2cc(Cl)c(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIKey: RNLXGBKLVVBLDJ-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 229 nM (pChEMBL 6.639999866485596)
Descriptors: MW 480.86, ALogP 2.53, HBA 7, HBD 2, PSA 115.79, QED 0.43
Compound (SMILES): O=C(NCC#Cc1ccc2ncnc(O)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O
InChIKey: HZMFMIIYPNCSQI-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: Kinase Assay: The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
Measurement: IC50 = 311 nM (pChEMBL 6.510000228881836)
Descriptors: MW 447.4, ALogP 2, HBA 7, HBD 2, PSA 110, QED 0.46
Compound (SMILES): COc1ccc(-c2ccccc2C(F)(F)F)cc1OC1CNC1
InChIKey: RJIUZEMTZBUPRL-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 3.79 nM (pChEMBL 8.420000076293945)
Descriptors: MW 323.31, ALogP 3.73, HBA 3, HBD 1, PSA 30.49, QED 0.93
Compound (SMILES): COc1ccc(-c2ccc(F)cc2C)cc1OC1CNC1
InChIKey: QMUGOEQNFWVSKN-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 287.33, ALogP 3.16, HBA 3, HBD 1, PSA 30.49, QED 0.94
Compound (SMILES): COc1ccc(-c2ccccc2C#N)cc1OC1CNC1
InChIKey: OIMXRUAVACEGMM-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 33.88 nM (pChEMBL 7.46999979019165)
Descriptors: MW 280.33, ALogP 2.58, HBA 4, HBD 1, PSA 54.28, QED 0.93
Compound (SMILES): COc1ccc(-c2cccc(C)c2C)cc1OC1CNC1
InChIKey: NAWOPMZRMVKONG-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 283.37, ALogP 3.33, HBA 3, HBD 1, PSA 30.49, QED 0.93
Compound (SMILES): COc1ccc(-c2cccc(F)c2C)cc1OC1CNC1
InChIKey: GWTQMPYWBCHCJF-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 287.33, ALogP 3.16, HBA 3, HBD 1, PSA 30.49, QED 0.94
Compound (SMILES): COc1ccc(-c2c(C)cccc2C)cc1OC1CNC1
InChIKey: REBISLWIOONOAJ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 8.2 nM (pChEMBL 8.09000015258789)
Descriptors: MW 283.37, ALogP 3.33, HBA 3, HBD 1, PSA 30.49, QED 0.93
Compound (SMILES): COc1ccc(-c2ccccc2OC(F)(F)F)cc1OC1CNC1
InChIKey: LNAJGVAUKKGNMI-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 10 nM (pChEMBL 8)
Descriptors: MW 339.31, ALogP 3.61, HBA 4, HBD 1, PSA 39.72, QED 0.9
Compound (SMILES): COc1ccc(-c2ccccc2C)cc1OC1CNC1
InChIKey: XFMMZLPEDXNADC-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 13.49 nM (pChEMBL 7.869999885559082)
Descriptors: MW 269.34, ALogP 3.02, HBA 3, HBD 1, PSA 30.49, QED 0.93
Compound (SMILES): COc1ccc(-c2ccccc2OC)cc1OC1CNC1
InChIKey: LOWWCEBZQVXEGV-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 285.34, ALogP 2.72, HBA 4, HBD 1, PSA 39.72, QED 0.92
Compound (SMILES): COc1ccc(-c2c(Cl)cccc2C(F)(F)F)cc1OC1CNC1
InChIKey: YORIPPMTKDXBCP-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 112 nM (pChEMBL 6.949999809265137)
Descriptors: MW 357.76, ALogP 4.39, HBA 3, HBD 1, PSA 30.49, QED 0.88
Compound (SMILES): COc1ccc(-c2ccc(C)cc2)cc1OC1CNC1
InChIKey: BBAAGQOJLVGUNX-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 759.98 nM (pChEMBL 6.119999885559082)
Descriptors: MW 269.34, ALogP 3.02, HBA 3, HBD 1, PSA 30.49, QED 0.93
Compound (SMILES): COc1ccc(-c2ccc(F)c(C)c2)cc1OC1CNC1
InChIKey: KDCWDEPJOSMEIH-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 770.02 nM (pChEMBL 6.110000133514404)
Descriptors: MW 287.33, ALogP 3.16, HBA 3, HBD 1, PSA 30.49, QED 0.94
Compound (SMILES): COc1ccc(-c2cccc(C)c2)cc1OC1CNC1
InChIKey: HFHMCIJUDXIIBV-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 269.34, ALogP 3.02, HBA 3, HBD 1, PSA 30.49, QED 0.93
Compound (SMILES): COc1ccc(-c2ccc(C)c(C)c2)cc1OC1CNC1
InChIKey: JAFKEKXCJKBUQM-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 249.98 nM (pChEMBL 6.599999904632568)
Descriptors: MW 283.37, ALogP 3.33, HBA 3, HBD 1, PSA 30.49, QED 0.93
Compound (SMILES): COc1ccc(-c2ccccc2)cc1OC1CNC1
InChIKey: RVORCTMDOJCWKW-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 120.01 nM (pChEMBL 6.920000076293945)
Descriptors: MW 255.32, ALogP 2.71, HBA 3, HBD 1, PSA 30.49, QED 0.91
Compound (SMILES): COc1ccc(-c2cc(C)ccc2C)cc1OC1CNC1
InChIKey: MFDDLWZSYNXJSA-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 114 nM (pChEMBL 6.940000057220459)
Descriptors: MW 283.37, ALogP 3.33, HBA 3, HBD 1, PSA 30.49, QED 0.93
Compound (SMILES): COc1ccc(-c2ccccc2Cl)cc1OC1CNC1
InChIKey: ZPBHQVLMVWLFHM-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 4.42 nM (pChEMBL 8.359999656677246)
Descriptors: MW 289.76, ALogP 3.37, HBA 3, HBD 1, PSA 30.49, QED 0.94
Compound (SMILES): COc1ccc(-c2ccccc2Cl)cc1OC1CN(C(C)C)C1
InChIKey: MVIGZDMLVDWYRB-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 532.97 nM (pChEMBL 6.269999980926514)
Descriptors: MW 331.84, ALogP 4.49, HBA 3, HBD 0, PSA 21.7, QED 0.81
Compound (SMILES): COc1ccc(-c2ccccc2Cl)cc1OC1CN(C2CCC2)C1
InChIKey: UMBPULLZNANOBA-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 299.99 nM (pChEMBL 6.519999980926514)
Descriptors: MW 343.85, ALogP 4.63, HBA 3, HBD 0, PSA 21.7, QED 0.79
Compound (SMILES): FC(F)(F)c1ccccc1-c1cccc(OC2CNC2)c1
InChIKey: CDWBIRXEOIVBEI-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 25.5 nM (pChEMBL 7.590000152587891)
Descriptors: MW 293.29, ALogP 3.72, HBA 2, HBD 1, PSA 21.26, QED 0.93
Compound (SMILES): Clc1ccccc1-c1cccc(OC2CNC2)c1
InChIKey: ZXYUGEKLMIWACL-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 34.64 nM (pChEMBL 7.460000038146973)
Descriptors: MW 259.74, ALogP 3.36, HBA 2, HBD 1, PSA 21.26, QED 0.91
Compound (SMILES): Cc1cccc(-c2cccc(OC3CNC3)c2)c1
InChIKey: HUURPVXREOLOKU-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 751.97 nM (pChEMBL 6.119999885559082)
Descriptors: MW 239.32, ALogP 3.01, HBA 2, HBD 1, PSA 21.26, QED 0.89
Compound (SMILES): Cc1ccccc1-c1cccc(OC2CNC2)c1
InChIKey: JYQPLHSVMUWBDE-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 67 nM (pChEMBL 7.170000076293945)
Descriptors: MW 239.32, ALogP 3.01, HBA 2, HBD 1, PSA 21.26, QED 0.89
Compound (SMILES): Clc1ccc(-c2ccccc2Cl)cc1OC1CNC1
InChIKey: CHOHXKVUUPDEED-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 8.89 nM (pChEMBL 8.050000190734863)
Descriptors: MW 294.18, ALogP 4.01, HBA 2, HBD 1, PSA 21.26, QED 0.92
Compound (SMILES): FC(F)(F)c1ccccc1-c1ccc(Cl)c(OC2CNC2)c1
InChIKey: YBYGWGWGNVETGJ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 10.49 nM (pChEMBL 7.980000019073486)
Descriptors: MW 327.73, ALogP 4.38, HBA 2, HBD 1, PSA 21.26, QED 0.9
Compound (SMILES): Cc1ccccc1-c1ccc(Cl)c(OC2CNC2)c1
InChIKey: XXTUMJOIXQDFAQ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 15.49 nM (pChEMBL 7.809999942779541)
Descriptors: MW 273.76, ALogP 3.67, HBA 2, HBD 1, PSA 21.26, QED 0.92
Compound (SMILES): Cc1cccc(-c2ccc(Cl)c(OC3CNC3)c2)c1
InChIKey: SNEWYRBNNDSMJS-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 410.02 nM (pChEMBL 6.389999866485596)
Descriptors: MW 273.76, ALogP 3.67, HBA 2, HBD 1, PSA 21.26, QED 0.92
Compound (SMILES): N#Cc1ccc(-c2ccccc2C(F)(F)F)cc1OC1CNC1
InChIKey: IZIBFRRPYJEZFD-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 127 nM (pChEMBL 6.900000095367432)
Descriptors: MW 318.3, ALogP 3.59, HBA 3, HBD 1, PSA 45.05, QED 0.94
Compound (SMILES): N#Cc1ccc(-c2ccccc2)cc1OC1CNC1
InChIKey: WHKUBBHWMNRGHD-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 10000 nM (pChEMBL 5)
Descriptors: MW 250.3, ALogP 2.58, HBA 3, HBD 1, PSA 45.05, QED 0.91
Compound (SMILES): Cc1ccccc1-c1ccc(C#N)c(OC2CNC2)c1
InChIKey: CTEFRNAEMMNNCY-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 508.04 nM (pChEMBL 6.289999961853027)
Descriptors: MW 264.33, ALogP 2.88, HBA 3, HBD 1, PSA 45.05, QED 0.93
Compound (SMILES): Cc1cc(C#N)c(OC2CNC2)cc1-c1ccccc1
InChIKey: CVUWWMPCUXJJMR-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 10000 nM (pChEMBL 5)
Descriptors: MW 264.33, ALogP 2.88, HBA 3, HBD 1, PSA 45.05, QED 0.93
Compound (SMILES): CCOc1ccc(-c2ccccc2C)cc1OC1CNC1
InChIKey: MQKKKZLYTZSFEQ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 454.05 nM (pChEMBL 6.340000152587891)
Descriptors: MW 283.37, ALogP 3.41, HBA 3, HBD 1, PSA 30.49, QED 0.91
Compound (SMILES): Cc1ccccc1-c1ccc(OCC(F)(F)F)c(OC2CNC2)c1
InChIKey: VXCZETWUTBFDHI-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 525.05 nM (pChEMBL 6.28000020980835)
Descriptors: MW 337.34, ALogP 3.95, HBA 3, HBD 1, PSA 30.49, QED 0.9
Compound (SMILES): Cc1ccccc1-c1ccc(OC2CCC2)c(OC2CNC2)c1
InChIKey: BVZOFYHMVRILMN-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 666.96 nM (pChEMBL 6.179999828338623)
Descriptors: MW 309.41, ALogP 3.94, HBA 3, HBD 1, PSA 30.49, QED 0.91
Compound (SMILES): Cc1ccccc1-c1ccc(OCC2CC2)c(OC2CNC2)c1
InChIKey: RPLHRGAPUFUFPR-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 754.92 nM (pChEMBL 6.119999885559082)
Descriptors: MW 309.41, ALogP 3.8, HBA 3, HBD 1, PSA 30.49, QED 0.88
Compound (SMILES): Cc1ccccc1-c1ccc(OC(C)C)c(OC2CNC2)c1
InChIKey: DGGCFIHAFGYWEH-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 10000 nM (pChEMBL 5)
Descriptors: MW 297.4, ALogP 3.8, HBA 3, HBD 1, PSA 30.49, QED 0.91
Compound (SMILES): CCN(CC)C(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1OC1CNC1
InChIKey: FZSPMGASYMAWCG-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 2267.25 nM (pChEMBL 5.639999866485596)
Descriptors: MW 392.42, ALogP 4.21, HBA 3, HBD 1, PSA 41.57, QED 0.8
Compound (SMILES): Cc1cccc(-c2ccc(Cl)cc2OC2CNC2)c1
InChIKey: GILXIKIRMMQHSF-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 189.02 nM (pChEMBL 6.71999979019165)
Descriptors: MW 273.76, ALogP 3.67, HBA 2, HBD 1, PSA 21.26, QED 0.92
Compound (SMILES): Cc1cc(-c2ccc(Cl)cc2OC2CNC2)ccc1F
InChIKey: XJFUUSIDFJNPRY-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 470 nM (pChEMBL 6.329999923706055)
Descriptors: MW 291.75, ALogP 3.81, HBA 2, HBD 1, PSA 21.26, QED 0.93
Compound (SMILES): Cc1ccc(-c2ccc(Cl)cc2OC2CNC2)cc1C
InChIKey: WOLAWKPRSBWWRL-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 209.99 nM (pChEMBL 6.679999828338623)
Descriptors: MW 287.79, ALogP 3.97, HBA 2, HBD 1, PSA 21.26, QED 0.92
Compound (SMILES): COc1ccc(-c2ccccc2C)cc1C1CCNC1
InChIKey: MZIVDGJKDNNHTQ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 5.46 nM (pChEMBL 8.260000228881836)
Descriptors: MW 267.37, ALogP 3.75, HBA 2, HBD 1, PSA 21.26, QED 0.91
Compound (SMILES): COc1ccc(-c2cccc(F)c2C)cc1C1CCNC1
InChIKey: KPEYJFXLUURSDS-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 285.36, ALogP 3.89, HBA 2, HBD 1, PSA 21.26, QED 0.92
Compound (SMILES): COc1ccc(-c2cccc(F)c2F)cc1C1CCNC1
InChIKey: OXSXASOPOZMNQU-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 289.32, ALogP 3.72, HBA 2, HBD 1, PSA 21.26, QED 0.93
Compound (SMILES): COc1ccc(-c2cccc(C(F)(F)F)c2)cc1C1CCNC1
InChIKey: POQLLGQFVUYJSM-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 117 nM (pChEMBL 6.929999828338623)
Descriptors: MW 321.34, ALogP 4.46, HBA 2, HBD 1, PSA 21.26, QED 0.9
Compound (SMILES): COc1ccc(-c2ccccc2C(F)(F)F)cc1C1CCNC1
InChIKey: XZFYPPFRJAWGAS-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 7.98 nM (pChEMBL 8.100000381469727)
Descriptors: MW 321.34, ALogP 4.46, HBA 2, HBD 1, PSA 21.26, QED 0.9
Compound (SMILES): COc1ccc(-c2ccccc2OC(F)(F)F)cc1C1CCNC1
InChIKey: UZVDGOVSKMTGSP-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 19.77 nM (pChEMBL 7.699999809265137)
Descriptors: MW 337.34, ALogP 4.34, HBA 3, HBD 1, PSA 30.49, QED 0.9
Compound (SMILES): COc1ccc(-c2ccccc2)cc1C1CCNC1
InChIKey: XKBSFBXGLVCANI-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 129.99 nM (pChEMBL 6.889999866485596)
Descriptors: MW 253.34, ALogP 3.44, HBA 2, HBD 1, PSA 21.26, QED 0.9
Compound (SMILES): COc1ccc(-c2ccccc2)cc1C1CCN(C)C1
InChIKey: KAFFDBJURFXTHX-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 267.37, ALogP 3.78, HBA 2, HBD 0, PSA 12.47, QED 0.84
Compound (SMILES): c1ccc(-c2ccccc2C2CCNC2)cc1
InChIKey: URLRIIFRDIEZBT-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 120.01 nM (pChEMBL 6.920000076293945)
Descriptors: MW 223.32, ALogP 3.43, HBA 1, HBD 1, PSA 12.03, QED 0.82
Compound (SMILES): Cc1cccc(-c2ccccc2C2CCNC2)c1
InChIKey: DKALRZOTHIJKNZ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 80.24 nM (pChEMBL 7.099999904632568)
Descriptors: MW 237.35, ALogP 3.74, HBA 1, HBD 1, PSA 12.03, QED 0.84
Compound (SMILES): Cc1cccc(-c2ccccc2C2CCN(C)C2)c1
InChIKey: URXWOQUVQXDSMJ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 310.03 nM (pChEMBL 6.510000228881836)
Descriptors: MW 251.37, ALogP 4.08, HBA 1, HBD 0, PSA 3.24, QED 0.78
Compound (SMILES): Cc1ccc(-c2ccccc2C2CCNC2)cc1
InChIKey: KJUSKAJDKDLWPG-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 120.01 nM (pChEMBL 6.920000076293945)
Descriptors: MW 237.35, ALogP 3.74, HBA 1, HBD 1, PSA 12.03, QED 0.84
Compound (SMILES): Cc1ccc(-c2ccccc2C2CCN(C)C2)cc1
InChIKey: PEDPMDVDRXJXTE-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 430.03 nM (pChEMBL 6.369999885559082)
Descriptors: MW 251.37, ALogP 4.08, HBA 1, HBD 0, PSA 3.24, QED 0.78
Compound (SMILES): Clc1ccc(-c2ccccc2C2CCNC2)cc1
InChIKey: XFIHWYUMDWSDKP-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 180.01 nM (pChEMBL 6.75)
Descriptors: MW 257.76, ALogP 4.08, HBA 1, HBD 1, PSA 12.03, QED 0.85
Compound (SMILES): Cc1ccc(-c2ccccc2C2CCNC2)cc1C
InChIKey: OASUTIBNORNIMF-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 55.94 nM (pChEMBL 7.25)
Descriptors: MW 251.37, ALogP 4.05, HBA 1, HBD 1, PSA 12.03, QED 0.85
Compound (SMILES): Cc1ccc(-c2ccccc2C2CCN(C)C2)cc1C
InChIKey: NOFOALGQZJEQRY-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 155.02 nM (pChEMBL 6.809999942779541)
Descriptors: MW 265.4, ALogP 4.39, HBA 1, HBD 0, PSA 3.24, QED 0.78
Compound (SMILES): Cc1ccccc1-c1ccccc1C1CCNC1
InChIKey: YQNOOZMWLPLZPJ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 209.99 nM (pChEMBL 6.679999828338623)
Descriptors: MW 237.35, ALogP 3.74, HBA 1, HBD 1, PSA 12.03, QED 0.84
Compound (SMILES): Cc1ccccc1-c1ccccc1C1CCN(C)C1
InChIKey: FBKQBOIUAVUKOR-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 329.99 nM (pChEMBL 6.480000019073486)
Descriptors: MW 251.37, ALogP 4.08, HBA 1, HBD 0, PSA 3.24, QED 0.78
Compound (SMILES): COc1ccccc1-c1ccccc1C1CCNC1
InChIKey: UBNSDJYBPOUSBP-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 299.99 nM (pChEMBL 6.519999980926514)
Descriptors: MW 253.34, ALogP 3.44, HBA 2, HBD 1, PSA 21.26, QED 0.9
Compound (SMILES): COc1ccccc1-c1ccccc1C1CCN(C)C1
InChIKey: JNBRWOORFJIMQO-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 729.96 nM (pChEMBL 6.139999866485596)
Descriptors: MW 267.37, ALogP 3.78, HBA 2, HBD 0, PSA 12.47, QED 0.84
Compound (SMILES): COc1ccc(C)cc1-c1ccccc1C1CCNC1
InChIKey: DRGLQNFNSBWPIY-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 1699.81 nM (pChEMBL 5.769999980926514)
Descriptors: MW 267.37, ALogP 3.75, HBA 2, HBD 1, PSA 21.26, QED 0.91
Compound (SMILES): Clc1cccc(-c2ccc(Cl)cc2C2CCNC2)c1
InChIKey: KMOGJVNCLXUDAA-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 129.99 nM (pChEMBL 6.889999866485596)
Descriptors: MW 292.21, ALogP 4.74, HBA 1, HBD 1, PSA 12.03, QED 0.84
Compound (SMILES): Cc1cc(-c2ccc(Cl)cc2C2CCNC2)ccc1F
InChIKey: NPQPYHPQWMQQJC-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 380.01 nM (pChEMBL 6.420000076293945)
Descriptors: MW 289.78, ALogP 4.53, HBA 1, HBD 1, PSA 12.03, QED 0.86
Compound (SMILES): Cc1ccc(-c2ccc(Cl)cc2C2CCNC2)cc1C
InChIKey: KKZGJYKQPRGNLC-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 120.01 nM (pChEMBL 6.920000076293945)
Descriptors: MW 285.82, ALogP 4.7, HBA 1, HBD 1, PSA 12.03, QED 0.84
Compound (SMILES): COc1ccc(-c2ccccc2)cc1OC1CCNCC1
InChIKey: YKHTZBGVTAZWFG-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 1482.86 nM (pChEMBL 5.829999923706055)
Descriptors: MW 283.37, ALogP 3.49, HBA 3, HBD 1, PSA 30.49, QED 0.93
Compound (SMILES): COc1ccc(-c2ccccc2C(F)(F)F)cc1OC1CCNCC1
InChIKey: UZZFGKCGNFFAMH-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 7 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P32305
Assay: Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
Measurement: Ki = 59.01 nM (pChEMBL 7.230000019073486)
Descriptors: MW 351.37, ALogP 4.51, HBA 3, HBD 1, PSA 30.49, QED 0.88
Compound (SMILES): C[C@]12CCC3C(CC[C@H]4C[C@H](O)CC[C@]34C)C1CC[C@@H]2[N+](=O)[O-]
InChIKey: VHIMUDDHWXRBRO-ILBJSTGGSA-N
Target: Gamma-aminobutyric acid type B receptor subunit 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9Z0U4
Assay: Binding Assay: [35S]TBPS binding assay.
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 321.46, ALogP 4.04, HBA 3, HBD 1, PSA 63.37, QED 0.59
Compound (SMILES): C[C@@]1(O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4[N+](=O)[O-])C3CC[C@H]2C1
InChIKey: SCLZOWKUTFYLGM-UOXHNUPUSA-N
Target: Gamma-aminobutyric acid type B receptor subunit 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9Z0U4
Assay: Binding Assay: [35S]TBPS binding assay.
Measurement: IC50 = 17.9 nM (pChEMBL 7.75)
Descriptors: MW 335.49, ALogP 4.43, HBA 3, HBD 1, PSA 63.37, QED 0.57
Compound (SMILES): CS[C@H]1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@@]21C
InChIKey: YURKCPXCRYAJFP-NSZABGKFSA-N
Target: Gamma-aminobutyric acid type B receptor subunit 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9Z0U4
Assay: Binding Assay: [35S]TBPS binding assay.
Measurement: IC50 = 32 nM (pChEMBL 7.5)
Descriptors: MW 322.56, ALogP 5.12, HBA 2, HBD 1, PSA 20.23, QED 0.72
Compound (SMILES): CN(C)c1ccc([C@H]2C[C@@]3(C)C(CC[C@@H]3[N+](=O)[O-])C3CC[C@H]4C[C@](C)(O)CCC4C32)cc1
InChIKey: LMFXDBRFRKVFFT-WSNQEUFISA-N
Target: Gamma-aminobutyric acid type B receptor subunit 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9Z0U4
Assay: Binding Assay: [35S]TBPS binding assay.
Measurement: IC50 = 9.79 nM (pChEMBL 8.010000228881836)
Descriptors: MW 440.63, ALogP 5.5, HBA 4, HBD 1, PSA 66.61, QED 0.5
Compound (SMILES): C#Cc1ccc(Nc2c(C(=O)NOCCO)cc(COCCO)c(F)c2F)c(F)c1
InChIKey: IWUXQVAYFVEXJE-UHFFFAOYSA-N
Target: Dual specificity mitogen-activated protein kinase kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q02750
Assay: Inhibition Assay: Inhibition assay using MEK kinase.
Measurement: IC50 = 32 nM (pChEMBL 7.5)
Descriptors: MW 424.38, ALogP 1.99, HBA 6, HBD 4, PSA 100.05, QED 0.26
Compound (SMILES): O=C(NOCCO)c1cc(COCCCO)c(F)c(F)c1Nc1ccc(I)cc1F
InChIKey: LIYQSSHOHBHGFX-UHFFFAOYSA-N
Target: Dual specificity mitogen-activated protein kinase kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q02750
Assay: Inhibition Assay: Inhibition assay using MEK kinase.
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 540.28, ALogP 3, HBA 6, HBD 4, PSA 100.05, QED 0.2
Compound (SMILES): O=C(NOCCO)c1cc(COCC(O)CO)c(F)c(F)c1Nc1ccc(I)cc1F
InChIKey: ZPKNZPBJSQINGV-UHFFFAOYSA-N
Target: Dual specificity mitogen-activated protein kinase kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q02750
Assay: Inhibition Assay: Inhibition assay using MEK kinase.
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 556.28, ALogP 1.98, HBA 7, HBD 5, PSA 120.28, QED 0.16
Compound (SMILES): CS(=O)(=O)CCOCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
InChIKey: QBKQZWXHOJAMRP-UHFFFAOYSA-N
Target: Dual specificity mitogen-activated protein kinase kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q02750
Assay: Inhibition Assay: Inhibition assay using MEK kinase.
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 588.34, ALogP 2.67, HBA 7, HBD 3, PSA 113.96, QED 0.21
Compound (SMILES): CNC(=O)CCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
InChIKey: OYVBEKHOKLLNFE-UHFFFAOYSA-N
Target: Dual specificity mitogen-activated protein kinase kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q02750
Assay: Inhibition Assay: Inhibition assay using MEK kinase.
Measurement: IC50 = 49 nM (pChEMBL 7.309999942779541)
Descriptors: MW 582.32, ALogP 2.26, HBA 7, HBD 5, PSA 120.95, QED 0.15
Compound (SMILES): CC(=O)NCCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
InChIKey: QPQLICQJUCIBFO-UHFFFAOYSA-N
Target: Dual specificity mitogen-activated protein kinase kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q02750
Assay: Inhibition Assay: Inhibition assay using MEK kinase.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 582.32, ALogP 2.26, HBA 7, HBD 5, PSA 120.95, QED 0.15