lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(O)C1CCN(c2ncc(Br)c(OC3CN(c4ccc5ccccc5n4)C3)n2)CC1
InChIKey: AVYQLSKIUJJCPW-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 242 nM (pChEMBL 6.619999885559082)
Descriptors: MW 484.4, ALogP 3.65, HBA 7, HBD 1, PSA 74.61, QED 0.59
Compound (SMILES): CC(=O)N1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIKey: FCPFBRLAHIQHPT-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 30.6 nM (pChEMBL 7.510000228881836)
Descriptors: MW 432.53, ALogP 2.74, HBA 7, HBD 0, PSA 74.69, QED 0.63
Compound (SMILES): CC(=O)N1CC2(C1)CN(c1nccnc1OC1CCN(c3ccc4ccccc4n3)CC1)C2
InChIKey: ZETYNRSJSYSDEY-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 1270 nM (pChEMBL 5.900000095367432)
Descriptors: MW 444.54, ALogP 2.74, HBA 7, HBD 0, PSA 74.69, QED 0.61
Compound (SMILES): CC(=O)N1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIKey: BASSNHDRQCEVSZ-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 77.5 nM (pChEMBL 7.110000133514404)
Descriptors: MW 404.47, ALogP 1.96, HBA 7, HBD 0, PSA 74.69, QED 0.66
Compound (SMILES): CC(=O)N1CCCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIKey: NVKBRYWNNKQOEQ-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 90.3 nM (pChEMBL 7.039999961853027)
Descriptors: MW 418.5, ALogP 2.35, HBA 7, HBD 0, PSA 74.69, QED 0.64
Compound (SMILES): COC1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIKey: SXHKWAOUAIXJSN-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 59.6 nM (pChEMBL 7.21999979019165)
Descriptors: MW 419.53, ALogP 3.69, HBA 7, HBD 0, PSA 63.61, QED 0.62
Compound (SMILES): COCC1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIKey: NZWBIKVWLHPTJP-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 1120 nM (pChEMBL 5.949999809265137)
Descriptors: MW 433.56, ALogP 3.94, HBA 7, HBD 0, PSA 63.61, QED 0.58
Compound (SMILES): O=C1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIKey: MQRDIABYTVDQGO-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 195 nM (pChEMBL 6.710000038146973)
Descriptors: MW 403.49, ALogP 3.24, HBA 7, HBD 0, PSA 71.45, QED 0.66
Compound (SMILES): O=C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIKey: AHHRTVLCJOTSHD-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 375.43, ALogP 2.46, HBA 7, HBD 0, PSA 71.45, QED 0.69
Compound (SMILES): CC(C)(O)C1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIKey: GDHPTWNAACVDIF-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 85.8 nM (pChEMBL 7.070000171661377)
Descriptors: MW 447.58, ALogP 4.06, HBA 7, HBD 1, PSA 74.61, QED 0.63
Compound (SMILES): CC(C)(O)C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIKey: SQRIHBAFZBKPGS-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 83.6 nM (pChEMBL 7.079999923706055)
Descriptors: MW 419.53, ALogP 3.28, HBA 7, HBD 1, PSA 74.61, QED 0.68
Compound (SMILES): Cc1cnccc1-c1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1
InChIKey: MLVRFJHXWDSVAQ-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 34.7 nM (pChEMBL 7.460000038146973)
Descriptors: MW 397.48, ALogP 4.44, HBA 6, HBD 0, PSA 64.03, QED 0.51
Compound (SMILES): c1ccc2nc(N3CCC(Oc4nccnc4-c4ccncc4)CC3)ccc2c1
InChIKey: FGNQAMWQMBATHA-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 35.7 nM (pChEMBL 7.449999809265137)
Descriptors: MW 383.46, ALogP 4.13, HBA 6, HBD 0, PSA 64.03, QED 0.53
Compound (SMILES): COc1ncccc1-c1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1
InChIKey: AMXSMCMJWXRVRI-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 118 nM (pChEMBL 6.929999828338623)
Descriptors: MW 413.48, ALogP 4.14, HBA 7, HBD 0, PSA 73.26, QED 0.49
Compound (SMILES): Cc1cc(-c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)ccn1
InChIKey: MXTJKUCQPPZLTN-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 81.6 nM (pChEMBL 7.090000152587891)
Descriptors: MW 397.48, ALogP 4.44, HBA 6, HBD 0, PSA 64.03, QED 0.51
Compound (SMILES): Clc1cnccc1-c1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1
InChIKey: OFWWKTQNXPHLSY-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 83.9 nM (pChEMBL 7.079999923706055)
Descriptors: MW 417.9, ALogP 4.79, HBA 6, HBD 0, PSA 64.03, QED 0.48
Compound (SMILES): Cc1cnccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1
InChIKey: BROIUZOJUNAJND-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 298 nM (pChEMBL 6.53000020980835)
Descriptors: MW 369.43, ALogP 3.66, HBA 6, HBD 0, PSA 64.03, QED 0.55
Compound (SMILES): Clc1cnccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1
InChIKey: MFYIOLZNZUYWFD-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 155 nM (pChEMBL 6.809999942779541)
Descriptors: MW 389.85, ALogP 4.01, HBA 6, HBD 0, PSA 64.03, QED 0.53
Compound (SMILES): COc1cnccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1
InChIKey: FESWXUJWMRUANY-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 83.7 nM (pChEMBL 7.079999923706055)
Descriptors: MW 385.43, ALogP 3.36, HBA 7, HBD 0, PSA 73.26, QED 0.52
Compound (SMILES): Cc1ccccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1
InChIKey: PCRQCDLHPNRWJB-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 128 nM (pChEMBL 6.889999866485596)
Descriptors: MW 368.44, ALogP 4.27, HBA 5, HBD 0, PSA 51.14, QED 0.54
Compound (SMILES): COc1ccccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1
InChIKey: KSQJSIGVJXRLJX-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 384.44, ALogP 3.97, HBA 6, HBD 0, PSA 60.37, QED 0.52
Compound (SMILES): Fc1cc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)ccn1
InChIKey: QDAMIGCENPOWFE-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 39.5 nM (pChEMBL 7.400000095367432)
Descriptors: MW 373.39, ALogP 3.49, HBA 6, HBD 0, PSA 64.03, QED 0.51
Compound (SMILES): N#Cc1ccccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1
InChIKey: BVMYOEOFSOKJKE-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 377 nM (pChEMBL 6.420000076293945)
Descriptors: MW 379.42, ALogP 3.83, HBA 6, HBD 0, PSA 74.93, QED 0.54
Compound (SMILES): N#Cc1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIKey: RARNJQZYFXMUNC-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 41.3 nM (pChEMBL 7.380000114440918)
Descriptors: MW 379.42, ALogP 3.83, HBA 6, HBD 0, PSA 74.93, QED 0.54
Compound (SMILES): Cc1cc(F)ccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1
InChIKey: QYWYHCIBYUKBEA-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 918 nM (pChEMBL 6.039999961853027)
Descriptors: MW 386.43, ALogP 4.41, HBA 5, HBD 0, PSA 51.14, QED 0.52
Compound (SMILES): CN(C)C(=O)c1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1
InChIKey: GJDVEXYGXHBDQB-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 425.49, ALogP 3.66, HBA 6, HBD 0, PSA 71.45, QED 0.49
Compound (SMILES): CC(=O)c1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIKey: DVDRDHOYLRCPIQ-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 11.2 nM (pChEMBL 7.949999809265137)
Descriptors: MW 396.45, ALogP 4.16, HBA 6, HBD 0, PSA 68.21, QED 0.47
Compound (SMILES): COCc1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIKey: QDKPTRGTFJLORC-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 45.2 nM (pChEMBL 7.340000152587891)
Descriptors: MW 398.47, ALogP 4.11, HBA 6, HBD 0, PSA 60.37, QED 0.49
Compound (SMILES): CN(C)C(=O)c1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIKey: KIJRVJQLPCGZDK-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 22.8 nM (pChEMBL 7.639999866485596)
Descriptors: MW 425.49, ALogP 3.66, HBA 6, HBD 0, PSA 71.45, QED 0.49
Compound (SMILES): N#Cc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cn1
InChIKey: OCJDEDDGUFIUBJ-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 50.6 nM (pChEMBL 7.300000190734863)
Descriptors: MW 380.41, ALogP 3.23, HBA 7, HBD 0, PSA 87.82, QED 0.54
Compound (SMILES): Cc1cc(-c2nccnc2O[C@@H]2CCN(c3ccc4ccccc4n3)C2)ccn1
InChIKey: UOCDJJBELZGEDH-LJQANCHMSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 255 nM (pChEMBL 6.590000152587891)
Descriptors: MW 383.46, ALogP 4.05, HBA 6, HBD 0, PSA 64.03, QED 0.53
Compound (SMILES): Cc1cc(-c2nccnc2O[C@H]2CCN(c3ccc4ccccc4n3)C2)ccn1
InChIKey: UOCDJJBELZGEDH-IBGZPJMESA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 639 nM (pChEMBL 6.190000057220459)
Descriptors: MW 383.46, ALogP 4.05, HBA 6, HBD 0, PSA 64.03, QED 0.53
Compound (SMILES): c1cncc(-c2nccc(OC3CN(c4ccc5ccccc5n4)C3)n2)c1
InChIKey: MERDBKDGDXJVLP-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 35.6 nM (pChEMBL 7.449999809265137)
Descriptors: MW 355.4, ALogP 3.35, HBA 6, HBD 0, PSA 64.03, QED 0.56
Compound (SMILES): c1ccc2nc(N3CC(Oc4ccnc(-c5ccncc5)n4)C3)ccc2c1
InChIKey: BUUMWZWHQVIMLN-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 32.3 nM (pChEMBL 7.489999771118164)
Descriptors: MW 355.4, ALogP 3.35, HBA 6, HBD 0, PSA 64.03, QED 0.56
Compound (SMILES): Nc1ccc(-c2nccc(OC3CN(c4ccc5ccccc5n4)C3)n2)cc1
InChIKey: YUPAMOQNEXAAOE-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 369.43, ALogP 3.54, HBA 6, HBD 1, PSA 77.16, QED 0.55
Compound (SMILES): Fc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cn1
InChIKey: XCYKANGQZUIGHY-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 45.7 nM (pChEMBL 7.340000152587891)
Descriptors: MW 373.39, ALogP 3.49, HBA 6, HBD 0, PSA 64.03, QED 0.51
Compound (SMILES): Cc1ccncc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1
InChIKey: XMGXRMAGOKAXIU-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 251 nM (pChEMBL 6.599999904632568)
Descriptors: MW 369.43, ALogP 3.66, HBA 6, HBD 0, PSA 64.03, QED 0.55
Compound (SMILES): COc1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIKey: PPMCBYVGKNPYDP-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 384.44, ALogP 3.97, HBA 6, HBD 0, PSA 60.37, QED 0.52
Compound (SMILES): COc1cccc(-c2nccnc2OC2CN(c3ncc4ccccc4n3)C2)c1
InChIKey: YRYQHEHFMYLXKV-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 148 nM (pChEMBL 6.829999923706055)
Descriptors: MW 385.43, ALogP 3.36, HBA 7, HBD 0, PSA 73.26, QED 0.52
Compound (SMILES): COc1ncccc1-c1nccnc1OC1CN(c2ncc3ccccc3n2)C1
InChIKey: RBLLOLSSGIVOFH-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 178 nM (pChEMBL 6.75)
Descriptors: MW 386.42, ALogP 2.76, HBA 8, HBD 0, PSA 86.15, QED 0.52
Compound (SMILES): Cc1cccc(-c2nc3ccccc3nc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIKey: MKHXDBHRHWGONV-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 53.5 nM (pChEMBL 7.269999980926514)
Descriptors: MW 418.5, ALogP 5.42, HBA 5, HBD 0, PSA 51.14, QED 0.39
Compound (SMILES): C1=C(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CCOC1
InChIKey: PDKTZRBNGYEHBA-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 14.9 nM (pChEMBL 7.829999923706055)
Descriptors: MW 360.42, ALogP 3.1, HBA 6, HBD 0, PSA 60.37, QED 0.71
Compound (SMILES): c1ccc(Cc2ccc3oc(-c4nccnc4OC4CN(c5ccc6ccccc6n5)C4)cc3c2)cc1
InChIKey: ZJQJJKYHLUKKKP-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 363 nM (pChEMBL 6.440000057220459)
Descriptors: MW 484.56, ALogP 6.3, HBA 6, HBD 0, PSA 64.28, QED 0.28
Compound (SMILES): COc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cn1
InChIKey: IAPURLMIVSNISA-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 25.4 nM (pChEMBL 7.590000152587891)
Descriptors: MW 385.43, ALogP 3.36, HBA 7, HBD 0, PSA 73.26, QED 0.52
Compound (SMILES): Clc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cn1
InChIKey: IWQSTQYRJYRZCJ-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 9.7 nM (pChEMBL 8.010000228881836)
Descriptors: MW 389.85, ALogP 4.01, HBA 6, HBD 0, PSA 64.03, QED 0.49
Compound (SMILES): Brc1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIKey: RNZSNDNOKQUHGQ-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 45.9 nM (pChEMBL 7.340000152587891)
Descriptors: MW 433.31, ALogP 4.72, HBA 5, HBD 0, PSA 51.14, QED 0.47
Compound (SMILES): c1ccc(-c2ccc(-c3nccnc3OC3CN(c4ccc5ccccc5n4)C3)s2)cc1
InChIKey: UEUOBWVCFCRCMA-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 254 nM (pChEMBL 6.590000152587891)
Descriptors: MW 436.54, ALogP 5.69, HBA 6, HBD 0, PSA 51.14, QED 0.35
Compound (SMILES): CC(C)Oc1cc(F)cc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIKey: FAGREWGOOCTVDR-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 174 nM (pChEMBL 6.760000228881836)
Descriptors: MW 430.48, ALogP 4.89, HBA 6, HBD 0, PSA 60.37, QED 0.43
Compound (SMILES): COc1ncc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cn1
InChIKey: ZRGJKCOWOSXPEV-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 42.8 nM (pChEMBL 7.369999885559082)
Descriptors: MW 386.42, ALogP 2.76, HBA 8, HBD 0, PSA 86.15, QED 0.52
Compound (SMILES): c1ccc2nc(N3CC(Oc4nccnc4-c4ccc(OCC5CC5)nc4)C3)ccc2c1
InChIKey: JUHUZINYYKESGR-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 50.2 nM (pChEMBL 7.300000190734863)
Descriptors: MW 425.49, ALogP 4.14, HBA 7, HBD 0, PSA 73.26, QED 0.44
Compound (SMILES): COc1cccc(-c2cnc(N3CCC(CO)CC3)nc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIKey: PKWBCOQGFPZXMI-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 3.3 nM (pChEMBL 8.479999542236328)
Descriptors: MW 497.6, ALogP 4.18, HBA 8, HBD 1, PSA 83.84, QED 0.41
Compound (SMILES): Cc1cc(-c2cnc(N3CCC(CO)CC3)nc2OC2CN(c3ccc4ccccc4n3)C2)ccn1
InChIKey: QKMOMGFVPAXGKE-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 482.59, ALogP 3.87, HBA 8, HBD 1, PSA 87.5, QED 0.44
Compound (SMILES): COc1ncccc1-c1cnc(N2CCC(CO)CC2)nc1OC1CN(c2ccc3ccccc3n2)C1
InChIKey: RLMWPIZMMMUVAL-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 498.59, ALogP 3.57, HBA 9, HBD 1, PSA 96.73, QED 0.41
Compound (SMILES): Cc1ccc(-c2cnc(N3CCC(CO)CC3)nc2OC2CN(c3ccc4ccccc4n3)C2)cn1
InChIKey: YZJIBMZDMQGDMV-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 482.59, ALogP 3.87, HBA 8, HBD 1, PSA 87.5, QED 0.44
Compound (SMILES): OCC1CCN(c2ncc(C3=CCOCC3)c(OC3CN(c4ccc5ccccc5n4)C3)n2)CC1
InChIKey: GYPKGKLLWMFEDT-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 1.1 nM (pChEMBL 8.960000038146973)
Descriptors: MW 473.58, ALogP 3.3, HBA 8, HBD 1, PSA 83.84, QED 0.58
Compound (SMILES): CC(C)(C)OC(=O)N1CC=C(c2cnc(N3CCC(CO)CC3)nc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIKey: IFSVPFWFNWGXOF-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 572.71, ALogP 4.53, HBA 9, HBD 1, PSA 104.15, QED 0.46
Compound (SMILES): Cc1cc(-c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)ccn1
InChIKey: OFBPPCCRWWNETG-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 156 nM (pChEMBL 6.809999942779541)
Descriptors: MW 386.42, ALogP 2.63, HBA 6, HBD 1, PSA 96.89, QED 0.58
Compound (SMILES): COc1cnccc1-c1cccnc1OC1CN(C(=O)OCc2ccccc2)C1
InChIKey: YOQNZWCYFRRPFD-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 7641 nM (pChEMBL 5.119999885559082)
Descriptors: MW 391.43, ALogP 3.55, HBA 6, HBD 0, PSA 73.78, QED 0.64
Compound (SMILES): O=C(c1nc2ccccc2[nH]1)N1CCC(Oc2nccnc2-c2ccncc2)CC1
InChIKey: JFXISEXBJMKVRM-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 229.5 nM (pChEMBL 6.639999866485596)
Descriptors: MW 400.44, ALogP 3.1, HBA 6, HBD 1, PSA 96.89, QED 0.57
Compound (SMILES): O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2C2=CCOCC2)C1
InChIKey: HHGVKUISNQKRGO-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 222 nM (pChEMBL 6.650000095367432)
Descriptors: MW 377.4, ALogP 2.06, HBA 6, HBD 1, PSA 93.23, QED 0.75
Compound (SMILES): CC(C)(C)OC(=O)N1CCC=C(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1
InChIKey: RPTNLUYWYOIJJA-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 227 nM (pChEMBL 6.639999866485596)
Descriptors: MW 476.54, ALogP 3.28, HBA 7, HBD 1, PSA 113.54, QED 0.61
Compound (SMILES): CC(C)(C)OC(=O)N1C=C(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CCC1
InChIKey: SYFAVDINNZOBSS-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 36.5 nM (pChEMBL 7.440000057220459)
Descriptors: MW 476.54, ALogP 3.63, HBA 7, HBD 1, PSA 113.54, QED 0.61
Compound (SMILES): Cc1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIKey: CGXKFWGZNUYPMF-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 57.3 nM (pChEMBL 7.239999771118164)
Descriptors: MW 368.44, ALogP 4.27, HBA 5, HBD 0, PSA 51.14, QED 0.54
Compound (SMILES): COc1cccc(-c2nc3ccccc3nc2OC2CN(c3ccc4ccccc4n3)C2)c1
InChIKey: JTXGVIONEPUZPG-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 6.68 nM (pChEMBL 8.180000305175781)
Descriptors: MW 434.5, ALogP 5.12, HBA 6, HBD 0, PSA 60.37, QED 0.38
Compound (SMILES): COc1ncccc1-c1nc2ccccc2nc1OC1CN(c2ccc3ccccc3n2)C1
InChIKey: DFPRAYGZWDJSLE-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 5.5 nM (pChEMBL 8.260000228881836)
Descriptors: MW 435.49, ALogP 4.52, HBA 7, HBD 0, PSA 73.26, QED 0.4
Compound (SMILES): c1ccc(-c2nccc(OC3CN(c4ccc5ccccc5n4)C3)n2)nc1
InChIKey: VBSVJQSHDAXINX-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 109 nM (pChEMBL 6.960000038146973)
Descriptors: MW 355.4, ALogP 3.35, HBA 6, HBD 0, PSA 64.03, QED 0.56
Compound (SMILES): OCc1ccc(-c2nccc(OC3CN(c4ccc5ccccc5n4)C3)n2)cc1
InChIKey: AKJQZEBMCHNPKX-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 8.45 nM (pChEMBL 8.069999694824219)
Descriptors: MW 384.44, ALogP 3.45, HBA 6, HBD 1, PSA 71.37, QED 0.57
Compound (SMILES): FC1(F)CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIKey: VOERJNLLFAFYLC-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 4.23 nM (pChEMBL 8.369999885559082)
Descriptors: MW 397.43, ALogP 3.53, HBA 6, HBD 0, PSA 54.38, QED 0.67
Compound (SMILES): FC1(F)CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)C1
InChIKey: RDLQQJBKBQMOTF-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 95.3 nM (pChEMBL 7.019999980926514)
Descriptors: MW 383.4, ALogP 3.14, HBA 6, HBD 0, PSA 54.38, QED 0.69
Compound (SMILES): FC1(F)CCCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)C1
InChIKey: NNTPXMOUFXJJFS-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 92.1 nM (pChEMBL 7.039999961853027)
Descriptors: MW 397.43, ALogP 3.53, HBA 6, HBD 0, PSA 54.38, QED 0.67
Compound (SMILES): Fc1cnc(OC2CN(c3ccc4ccccc4n3)C2)c(N2CCC(F)(F)CC2)c1
InChIKey: GJIOYKHTZFWXEX-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 144 nM (pChEMBL 6.840000152587891)
Descriptors: MW 414.43, ALogP 4.27, HBA 5, HBD 0, PSA 41.49, QED 0.64
Compound (SMILES): FC1(F)CCN(c2cccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIKey: VAFNYTDLLQRYBW-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 35.9 nM (pChEMBL 7.449999809265137)
Descriptors: MW 396.44, ALogP 4.13, HBA 5, HBD 0, PSA 41.49, QED 0.66
Compound (SMILES): COCC(=O)N1CCC(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIKey: RMLHNXUOEFXCLM-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 165 nM (pChEMBL 6.78000020980835)
Descriptors: MW 433.51, ALogP 2.64, HBA 7, HBD 0, PSA 80.68, QED 0.59
Compound (SMILES): CC(=O)N1CCC(c2cc(C)cnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIKey: FJKFSWPYCBMOKL-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 67.8 nM (pChEMBL 7.170000076293945)
Descriptors: MW 416.53, ALogP 3.93, HBA 5, HBD 0, PSA 58.56, QED 0.64
Compound (SMILES): CC(=O)N1CCC(c2cc(F)cnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIKey: CKGSTLMHWLCQCX-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 64.8 nM (pChEMBL 7.190000057220459)
Descriptors: MW 420.49, ALogP 3.76, HBA 5, HBD 0, PSA 58.56, QED 0.64
Compound (SMILES): CC(=O)N1CCC(c2cccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIKey: UGOIIKZLPMMYEG-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 68.8 nM (pChEMBL 7.159999847412109)
Descriptors: MW 402.5, ALogP 3.62, HBA 5, HBD 0, PSA 58.56, QED 0.67
Compound (SMILES): CC(=O)N1CC=C(c2nccnc2OC2CN(C(=O)OCc3ccccc3)C2)CC1
InChIKey: DTAQAPXMGLJAAS-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 582.5 nM (pChEMBL 6.239999771118164)
Descriptors: MW 408.46, ALogP 2.51, HBA 6, HBD 0, PSA 84.86, QED 0.76
Compound (SMILES): CC(=O)N1CCC(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIKey: MSGIICVUIQUVMV-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 1640 nM (pChEMBL 5.789999961853027)
Descriptors: MW 431.54, ALogP 3.8, HBA 6, HBD 0, PSA 71.45, QED 0.63
Compound (SMILES): COCC(=O)N1CCC(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIKey: WLOAJYHCCPURTD-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 416.6 nM (pChEMBL 6.380000114440918)
Descriptors: MW 461.57, ALogP 3.43, HBA 7, HBD 0, PSA 80.68, QED 0.56
Compound (SMILES): CC(=O)N1CC=C(c2nccnc2OC2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)CC1
InChIKey: LDXALMFESXDELH-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 71.84 nM (pChEMBL 7.139999866485596)
Descriptors: MW 446.51, ALogP 2.67, HBA 6, HBD 1, PSA 104.31, QED 0.66
Compound (SMILES): CC(=O)N1CC=C(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1
InChIKey: JQCUNLCTXIYXAN-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 10.38 nM (pChEMBL 7.980000019073486)
Descriptors: MW 418.46, ALogP 1.89, HBA 6, HBD 1, PSA 104.31, QED 0.69
Compound (SMILES): CC(=O)N1CCCC(c2cccnc2OC2CN(C(=O)c3ccccn3)C2)C1
InChIKey: IMCPBYGSIMARFY-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 40.99 nM (pChEMBL 7.389999866485596)
Descriptors: MW 380.45, ALogP 2.11, HBA 5, HBD 0, PSA 75.63, QED 0.81
Compound (SMILES): CC(=O)N1CCCC(c2cccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1
InChIKey: QCXRRTPEWMJYEZ-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 6.468 nM (pChEMBL 8.1899995803833)
Descriptors: MW 419.49, ALogP 2.59, HBA 5, HBD 1, PSA 91.42, QED 0.7
Compound (SMILES): CC(C)C(=O)N1CCCC(c2cccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1
InChIKey: SPMFAAOODORGCL-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 41.4 nM (pChEMBL 7.380000114440918)
Descriptors: MW 447.54, ALogP 3.22, HBA 5, HBD 1, PSA 91.42, QED 0.65
Compound (SMILES): CC(=O)N1CC=C(c2nccnc2OC2CN(C(=O)c3ccc[nH]3)C2)CC1
InChIKey: UPJICARUBBQYOS-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 209.9 nM (pChEMBL 6.679999828338623)
Descriptors: MW 367.41, ALogP 1.34, HBA 5, HBD 1, PSA 91.42, QED 0.88
Compound (SMILES): CC(=O)N1CCC=C(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1
InChIKey: ZLTJWVRTJAEKCN-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 121 nM (pChEMBL 6.920000076293945)
Descriptors: MW 418.46, ALogP 1.89, HBA 6, HBD 1, PSA 104.31, QED 0.69
Compound (SMILES): CC(=O)N1CCC(c2cnc(N3CCC(CO)CC3)nc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIKey: KDRXVQBBOJZBQW-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 0.39 nM (pChEMBL 9.40999984741211)
Descriptors: MW 516.65, ALogP 3.23, HBA 8, HBD 1, PSA 94.92, QED 0.53
Compound (SMILES): COCC#Cc1nccnc1OC1CN(c2ccc3ccccc3n2)C1
InChIKey: CDHXEELWPVSGLR-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 282 nM (pChEMBL 6.550000190734863)
Descriptors: MW 346.39, ALogP 2.29, HBA 6, HBD 0, PSA 60.37, QED 0.68
Compound (SMILES): c1cnc(OC2CN(c3ccc4ccccc4n3)C2)c(N2CCOCC2)c1
InChIKey: QRBFEDYENCUANS-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 362.43, ALogP 2.73, HBA 6, HBD 0, PSA 50.72, QED 0.71
Compound (SMILES): CC(=O)N1CCC(c2cccnc2OC2CN(C(=O)OC(C)(C)C)C2)CC1
InChIKey: ZFJIGWBLGDXANH-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 10200 nM (pChEMBL 4.989999771118164)
Descriptors: MW 375.47, ALogP 2.81, HBA 5, HBD 0, PSA 71.97, QED 0.81
Compound (SMILES): O=C(c1nc2ccccc2[nH]1)N1CC(Oc2ncccc2C2=CCOCC2)C1
InChIKey: OUJZUWWYCTWMFP-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 0.864 nM (pChEMBL 9.0600004196167)
Descriptors: MW 376.42, ALogP 2.67, HBA 5, HBD 1, PSA 80.34, QED 0.76
Compound (SMILES): CC(=O)N1CC=C(c2cccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1
InChIKey: ORZAMBMTWVGNBS-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 76.89 nM (pChEMBL 7.110000133514404)
Descriptors: MW 417.47, ALogP 2.5, HBA 5, HBD 1, PSA 91.42, QED 0.7
Compound (SMILES): O=C1CCC(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1
InChIKey: BXPWQNKYGFFFLF-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 114.2 nM (pChEMBL 6.940000057220459)
Descriptors: MW 391.43, ALogP 2.48, HBA 6, HBD 1, PSA 101.07, QED 0.73
Compound (SMILES): CC(C)(C)OC(=O)N1CC(Oc2ncccc2[C@H]2CC[C@H](O)CC2)C1
InChIKey: RTTCIGVREARCQM-HDJSIYSDSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 15.75 nM (pChEMBL 7.800000190734863)
Descriptors: MW 348.44, ALogP 3.1, HBA 5, HBD 1, PSA 71.89, QED 0.91
Compound (SMILES): O=C(c1nc2ccccc2[nH]1)N1CC(Oc2ncccc2[C@H]2CC[C@@H](O)CC2)C1
InChIKey: QTHUPAWFDLKDHX-GASCZTMLSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q9QYJ6
Assay: Enzyme Inhibition Assay: Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).
Measurement: IC50 = 21.11 nM (pChEMBL 7.679999828338623)
Descriptors: MW 392.46, ALogP 2.88, HBA 5, HBD 2, PSA 91.34, QED 0.71