lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(=O)N1CCCC(c2cccnc2OC2CN(C(=O)c3cc(C)c[nH]3)C2)C1
InChIKey: MXSYXRSKPCMSAD-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 = 7942 nM (pChEMBL 5.099999904632568)
Descriptors: MW 382.46, ALogP 2.35, HBA 4, HBD 1, PSA 78.53, QED 0.88
Compound (SMILES): CC(=O)N1CC=C(c2nccnc2OC2CN(C(=O)c3cc(C)c[nH]3)C2)CC1
InChIKey: FUNGGSSOJPMEPD-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 = 249.5 nM (pChEMBL 6.599999904632568)
Descriptors: MW 381.44, ALogP 1.65, HBA 5, HBD 1, PSA 91.42, QED 0.87
Compound (SMILES): CC(=O)N1CCCC(c2cccnc2OC2CN(C(=O)c3cc4ccccc4[nH]3)C2)C1
InChIKey: FGRXXOQEYJLTPQ-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 = 886.4 nM (pChEMBL 6.050000190734863)
Descriptors: MW 418.5, ALogP 3.19, HBA 4, HBD 1, PSA 78.53, QED 0.71
Compound (SMILES): CC(O)C1CCN(c2ccnnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIKey: GYYVYUUOYVYQDC-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 = 76.7 nM (pChEMBL 7.119999885559082)
Descriptors: MW 405.5, ALogP 2.89, HBA 7, HBD 1, PSA 74.61, QED 0.7
Compound (SMILES): OCC1CCN(c2nccc(OC3CN(c4ccc5ccccc5n4)C3)n2)CC1
InChIKey: SSNLTNRWLYWOGR-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 = 14.2 nM (pChEMBL 7.849999904632568)
Descriptors: MW 391.48, ALogP 2.5, HBA 7, HBD 1, PSA 74.61, QED 0.72
Compound (SMILES): O=C(c1nc2ccccc2[nH]1)N1CC[C@@H](Oc2nccnc2C2CCOCC2)C1
InChIKey: GSBHPRFCVYIXFZ-OAHLLOKOSA-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 = 2782 nM (pChEMBL 5.559999942779541)
Descriptors: MW 393.45, ALogP 2.54, HBA 6, HBD 1, PSA 93.23, QED 0.73
Compound (SMILES): CC(=O)N1CCC(c2nccnc2OC2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)CC1
InChIKey: ZDRYCZKKMLJHSO-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 = 259.1 nM (pChEMBL 6.590000152587891)
Descriptors: MW 448.53, ALogP 2.76, HBA 6, HBD 1, PSA 104.31, QED 0.66
Compound (SMILES): O=C(c1ccncn1)N1CC(Oc2ncccc2C2=CCOCC2)C1
InChIKey: MCTAHBZOFDKPBM-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 = 990 nM (pChEMBL 6)
Descriptors: MW 338.37, ALogP 1.58, HBA 6, HBD 0, PSA 77.44, QED 0.84
Compound (SMILES): O=C(c1ncc[nH]1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIKey: CWXJOOADXICKQN-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 = 3673 nM (pChEMBL 5.429999828338623)
Descriptors: MW 356.43, ALogP 2.38, HBA 5, HBD 1, PSA 80.34, QED 0.91
Compound (SMILES): O=C(c1ccc[nH]1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIKey: QVWYGDNGYXPHSR-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 = 4261 nM (pChEMBL 5.369999885559082)
Descriptors: MW 355.44, ALogP 2.99, HBA 4, HBD 1, PSA 67.45, QED 0.92
Compound (SMILES): O=C(c1ccccn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIKey: SMTWYNDEVGFEAV-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 = 1260 nM (pChEMBL 5.900000095367432)
Descriptors: MW 367.45, ALogP 3.05, HBA 5, HBD 0, PSA 64.55, QED 0.83
Compound (SMILES): Cc1cccc(C(=O)N2CCC(Oc3ncccc3C3CCOCC3)CC2)n1
InChIKey: UHLUOUZARCAWMX-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 = 1177 nM (pChEMBL 5.929999828338623)
Descriptors: MW 381.48, ALogP 3.36, HBA 5, HBD 0, PSA 64.55, QED 0.81
Compound (SMILES): Cc1ccc(C(=O)N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1
InChIKey: ASJRRLNHGJBBBS-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 = 1648 nM (pChEMBL 5.78000020980835)
Descriptors: MW 381.48, ALogP 3.36, HBA 5, HBD 0, PSA 64.55, QED 0.81
Compound (SMILES): Cc1ccnc(C(=O)N2CCC(Oc3ncccc3C3CCOCC3)CC2)c1
InChIKey: CCCRIOXICYTJHH-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 381.48, ALogP 3.36, HBA 5, HBD 0, PSA 64.55, QED 0.81
Compound (SMILES): Cc1cccnc1C(=O)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIKey: HDNMLTDURTYHKA-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 = 1002 nM (pChEMBL 6)
Descriptors: MW 381.48, ALogP 3.36, HBA 5, HBD 0, PSA 64.55, QED 0.81
Compound (SMILES): O=C(c1nc2ccccc2s1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIKey: RPQSZWNPWDZWPS-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 = 324 nM (pChEMBL 6.489999771118164)
Descriptors: MW 423.54, ALogP 4.27, HBA 6, HBD 0, PSA 64.55, QED 0.63
Compound (SMILES): O=C(c1cc2ccccc2cn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIKey: NFWMFRCADUDQPW-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 = 126 nM (pChEMBL 6.900000095367432)
Descriptors: MW 417.51, ALogP 4.21, HBA 5, HBD 0, PSA 64.55, QED 0.64
Compound (SMILES): O=C(c1ccc(Cl)cn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIKey: BIADMYAESFYYSG-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 > 10000 nM (pChEMBL 5)
Descriptors: MW 401.89, ALogP 3.71, HBA 5, HBD 0, PSA 64.55, QED 0.78
Compound (SMILES): O=C(c1cc(Cl)ccn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIKey: XBHMMEOMLMLCFY-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 = 8890 nM (pChEMBL 5.050000190734863)
Descriptors: MW 401.89, ALogP 3.71, HBA 5, HBD 0, PSA 64.55, QED 0.78
Compound (SMILES): O=C(c1nc2ccccc2[nH]1)N1CC[C@H](Oc2ncccc2C2=CCOCC2)C1
InChIKey: COWMUSACWJSPJW-INIZCTEOSA-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 = 715 nM (pChEMBL 6.150000095367432)
Descriptors: MW 390.44, ALogP 3.06, HBA 5, HBD 1, PSA 80.34, QED 0.74
Compound (SMILES): O=C(c1nc2ccccc2[nH]1)N1CC[C@H](Oc2nccnc2C2=CCOCC2)C1
InChIKey: OLCZFKAXJUDOBK-HNNXBMFYSA-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 = 201 nM (pChEMBL 6.699999809265137)
Descriptors: MW 391.43, ALogP 2.45, HBA 6, HBD 1, PSA 93.23, QED 0.73
Compound (SMILES): O=C(c1nc2ccccc2[nH]1)N1CC[C@@H](Oc2ncccc2C2=CCOCC2)C1
InChIKey: COWMUSACWJSPJW-MRXNPFEDSA-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 = 767 nM (pChEMBL 6.119999885559082)
Descriptors: MW 390.44, ALogP 3.06, HBA 5, HBD 1, PSA 80.34, QED 0.74
Compound (SMILES): O=C(c1nc2ccccc2[nH]1)N1CC[C@@H](Oc2nccnc2C2=CCOCC2)C1
InChIKey: OLCZFKAXJUDOBK-OAHLLOKOSA-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 = 1464 nM (pChEMBL 5.829999923706055)
Descriptors: MW 391.43, ALogP 2.45, HBA 6, HBD 1, PSA 93.23, QED 0.73
Compound (SMILES): O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2C2CCOCC2)C1
InChIKey: AYEFVSSFVCSJCX-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 = 883.7 nM (pChEMBL 6.050000190734863)
Descriptors: MW 379.42, ALogP 2.15, HBA 6, HBD 1, PSA 93.23, QED 0.75
Compound (SMILES): O=C(c1nc2ccccc2[nH]1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIKey: KBTXELSWPMMPBM-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 = 116 nM (pChEMBL 6.940000057220459)
Descriptors: MW 406.49, ALogP 3.54, HBA 5, HBD 1, PSA 80.34, QED 0.72
Compound (SMILES): CC(=O)N1CCC(c2cccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1
InChIKey: MFBPGZBLDYVVCV-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 = 101.6 nM (pChEMBL 6.989999771118164)
Descriptors: MW 419.49, ALogP 2.59, HBA 5, HBD 1, PSA 91.42, QED 0.7
Compound (SMILES): O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nccnc2-c2cccnc2)C1
InChIKey: OSSYDCCMVFRLQQ-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 = 178.6 nM (pChEMBL 6.75)
Descriptors: MW 372.39, ALogP 2.32, HBA 6, HBD 1, PSA 96.89, QED 0.59
Compound (SMILES): CC(=O)N1CC=C(c2nccnc2OC2CN(C(=O)c3ccc(C)cn3)C2)CC1
InChIKey: KFAXSYNCNCPZQU-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 = 1030 nM (pChEMBL 5.989999771118164)
Descriptors: MW 393.45, ALogP 1.72, HBA 6, HBD 0, PSA 88.52, QED 0.79
Compound (SMILES): CC(=O)N1CCCC(c2cccnc2OC2CN(C(=O)c3ccc(C)nc3)C2)C1
InChIKey: YQTJBYMARMXBEN-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 = 8340 nM (pChEMBL 5.079999923706055)
Descriptors: MW 394.48, ALogP 2.41, HBA 5, HBD 0, PSA 75.63, QED 0.8
Compound (SMILES): CC(=O)N1CCCC(c2cccnc2OC2CN(C(=O)CC(C)(C)C)C2)C1
InChIKey: RBQFNOWQOYXDSH-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 = 41850 nM (pChEMBL 4.380000114440918)
Descriptors: MW 373.5, ALogP 2.83, HBA 4, HBD 0, PSA 62.74, QED 0.81
Compound (SMILES): CC(=O)N1CCC(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1
InChIKey: QCVGKEFGQIYJEQ-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 = 161.4 nM (pChEMBL 6.789999961853027)
Descriptors: MW 420.47, ALogP 1.98, HBA 6, HBD 1, PSA 104.31, QED 0.69
Compound (SMILES): CC(=O)N1CCC(c2nccnc2OC2CN(C(=O)c3ccc[nH]3)C2)CC1
InChIKey: LJBOFUAGXBABOW-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 = 138.6 nM (pChEMBL 6.860000133514404)
Descriptors: MW 369.43, ALogP 1.43, HBA 5, HBD 1, PSA 91.42, QED 0.88
Compound (SMILES): O=C(c1nc2ccccc2[nH]1)N1CC(Oc2cnccn2)C1
InChIKey: UTMXRFCMUGSIKY-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 = 12310 nM (pChEMBL 4.909999847412109)
Descriptors: MW 295.3, ALogP 1.26, HBA 5, HBD 1, PSA 84, QED 0.79
Compound (SMILES): O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nc3ccccc3nc2C2CCOCC2)C1
InChIKey: KVCSBABEDGFMCD-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 = 786 nM (pChEMBL 6.110000133514404)
Descriptors: MW 429.48, ALogP 3.3, HBA 6, HBD 1, PSA 93.23, QED 0.54
Compound (SMILES): O=C(c1ccc2ccccc2n1)N1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIKey: XNIFOSLOSPCYBI-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 = 809 nM (pChEMBL 6.090000152587891)
Descriptors: MW 417.51, ALogP 4.21, HBA 5, HBD 0, PSA 64.55, QED 0.64
Compound (SMILES): O=C(c1ccc2ccccc2n1)N1CCC(Oc2nccnc2C2CCOCC2)CC1
InChIKey: RFODQKWEFSTKQB-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 = 994 nM (pChEMBL 6)
Descriptors: MW 418.5, ALogP 3.6, HBA 6, HBD 0, PSA 77.44, QED 0.64
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)NC(c2ccccc2)c2cccc(OC(F)(F)C(F)F)c2)c(=O)[nH]1
InChIKey: SGTLWHIKKSEPCB-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 940 nM (pChEMBL 6.03000020980835)
Descriptors: MW 545.51, ALogP 2.85, HBA 7, HBD 2, PSA 119.49, QED 0.25
Compound (SMILES): CC(C)COc1cccc(C(NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c2ccccc2)c1
InChIKey: VSSJDUZOVYGUOF-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 501.61, ALogP 2.64, HBA 7, HBD 2, PSA 119.49, QED 0.35
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)NC(c2cccc(OCC3CC3)c2)c2cccc(OCC3CC3)c2)c(=O)[nH]1
InChIKey: ZHNOVYIFKNTPNO-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 569.68, ALogP 3.19, HBA 8, HBD 2, PSA 128.72, QED 0.25
Compound (SMILES): CC[C@H](C)COc1cccc(C(NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c2ccccc2)c1
InChIKey: WTTWCNDNXFLKHK-JINQPTGOSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 1650 nM (pChEMBL 5.78000020980835)
Descriptors: MW 515.63, ALogP 3.03, HBA 7, HBD 2, PSA 119.49, QED 0.32
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)NC(c2ccc(F)cc2)c2ccc(F)c(OCC3CC3)c2)c(=O)[nH]1
InChIKey: AOKBSQFGXVICRJ-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 535.57, ALogP 2.68, HBA 7, HBD 2, PSA 119.49, QED 0.33
Compound (SMILES): CCC(CC)(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
InChIKey: PNJAZKGWZYWICV-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 497.59, ALogP 2.46, HBA 7, HBD 2, PSA 119.49, QED 0.39
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)NCc2cccc(OC3CCCC3)c2)c(=O)[nH]1
InChIKey: HLMGOVBUAQNPQT-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 437.52, ALogP 1.34, HBA 7, HBD 2, PSA 119.49, QED 0.51
Compound (SMILES): CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
InChIKey: ZFYCJIJRMPSSBM-GOSISDBHSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 469.54, ALogP 1.9, HBA 7, HBD 2, PSA 119.49, QED 0.43
Compound (SMILES): C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OC2CCCC2)c1
InChIKey: PFINEOYKWGERPC-OAHLLOKOSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 469.54, ALogP 2.04, HBA 7, HBD 2, PSA 119.49, QED 0.49
Compound (SMILES): CC(C)C(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
InChIKey: XNXYILWCZJOIEB-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 483.56, ALogP 2.15, HBA 7, HBD 2, PSA 119.49, QED 0.42
Compound (SMILES): CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1
InChIKey: QGVIJTXEHAIUNH-LJQANCHMSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 451.55, ALogP 1.76, HBA 7, HBD 2, PSA 119.49, QED 0.45
Compound (SMILES): CC(C)(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
InChIKey: QISHBPLAIAANTI-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 469.54, ALogP 1.68, HBA 7, HBD 2, PSA 119.49, QED 0.46
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)NC(c2ccccc2)c2cccc(OCC3CCC3)c2)c(=O)[nH]1
InChIKey: FKSIFHFXPDPMSN-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 890 nM (pChEMBL 6.050000190734863)
Descriptors: MW 513.62, ALogP 2.79, HBA 7, HBD 2, PSA 119.49, QED 0.34
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)NC(c2cccc(OCC3CC3)c2)C2CC2)c(=O)[nH]1
InChIKey: GZROAVHXTHKNOB-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 463.56, ALogP 1.76, HBA 7, HBD 2, PSA 119.49, QED 0.44
Compound (SMILES): CC(C)C(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1
InChIKey: RUFARGDVDZBELE-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 330 nM (pChEMBL 6.480000019073486)
Descriptors: MW 465.57, ALogP 2.01, HBA 7, HBD 2, PSA 119.49, QED 0.44
Compound (SMILES): CC(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1
InChIKey: AMCGLRWKUQPNKD-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 451.55, ALogP 1.9, HBA 7, HBD 2, PSA 119.49, QED 0.5
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)NCc2cccc(OC3CC3)c2)c(=O)[nH]1
InChIKey: KVNOJYDFYWJLOZ-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 1130 nM (pChEMBL 5.949999809265137)
Descriptors: MW 409.46, ALogP 0.56, HBA 7, HBD 2, PSA 119.49, QED 0.52
Compound (SMILES): CCC(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
InChIKey: ZFYCJIJRMPSSBM-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 469.54, ALogP 1.9, HBA 7, HBD 2, PSA 119.49, QED 0.43
Compound (SMILES): CC(C)[C@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
InChIKey: XNXYILWCZJOIEB-NRFANRHFSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 1550 nM (pChEMBL 5.809999942779541)
Descriptors: MW 483.56, ALogP 2.15, HBA 7, HBD 2, PSA 119.49, QED 0.42
Compound (SMILES): CC(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
InChIKey: ICCGKYYIHLIFCA-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 455.51, ALogP 1.51, HBA 7, HBD 2, PSA 119.49, QED 0.47
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)N[C@H](c2ccc(F)cc2)c2ccc(F)c(OCC3CC3)c2)c(=O)[nH]1
InChIKey: AOKBSQFGXVICRJ-XMMPIXPASA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 535.57, ALogP 2.68, HBA 7, HBD 2, PSA 119.49, QED 0.33
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)N[C@@H](c2ccc(F)c(OCC3CC3)c2)c2cccs2)c(=O)[nH]1
InChIKey: YRYWYUOUFFERAZ-QFIPXVFZSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 523.61, ALogP 2.6, HBA 8, HBD 2, PSA 119.49, QED 0.33
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)NC2(c3cccc(OCC4CC4)c3)CCCC2)c(=O)[nH]1
InChIKey: FRFRDHDQXKSFJD-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 477.58, ALogP 2.08, HBA 7, HBD 2, PSA 119.49, QED 0.45
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)N[C@@H](c2ccc(F)c(OCC3CC3)c2)C2CC2)c(=O)[nH]1
InChIKey: GHVBJLDECGAPDX-OAQYLSRUSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 481.55, ALogP 1.9, HBA 7, HBD 2, PSA 119.49, QED 0.42
Compound (SMILES): CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1
InChIKey: IAILUVAWRSYLCO-HXUWFJFHSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 465.57, ALogP 2.29, HBA 7, HBD 2, PSA 119.49, QED 0.46
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)N[C@@H](c2cccc(OC3CCCC3)c2)C2CC2)c(=O)[nH]1
InChIKey: GBGUESREKMPTPP-JOCHJYFZSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 330 nM (pChEMBL 6.480000019073486)
Descriptors: MW 477.58, ALogP 2.29, HBA 7, HBD 2, PSA 119.49, QED 0.45
Compound (SMILES): CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CC2)c1
InChIKey: PUQFRMPEHMXFJI-GOSISDBHSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 90 nM (pChEMBL 7.050000190734863)
Descriptors: MW 437.52, ALogP 1.51, HBA 7, HBD 2, PSA 119.49, QED 0.49
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)NCc2ccc(F)c(OC3CCCC3)c2)c(=O)[nH]1
InChIKey: GVOYYYUYWJQXFR-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 455.51, ALogP 1.48, HBA 7, HBD 2, PSA 119.49, QED 0.5
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)NCc2cccc(OC3CCCCC3)c2)c(=O)[nH]1
InChIKey: RIWWGHUQRDNXQN-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 2010 nM (pChEMBL 5.699999809265137)
Descriptors: MW 451.55, ALogP 1.73, HBA 7, HBD 2, PSA 119.49, QED 0.5
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)NCc2cccc(OC3CCOCC3)c2)c(=O)[nH]1
InChIKey: OAIWOYRKGHZREC-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 2350 nM (pChEMBL 5.630000114440918)
Descriptors: MW 453.52, ALogP 0.58, HBA 8, HBD 2, PSA 128.72, QED 0.48
Compound (SMILES): C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCOCC2)c1
InChIKey: VPJZHNBIJFBSGM-MRXNPFEDSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 467.54, ALogP 1.14, HBA 8, HBD 2, PSA 128.72, QED 0.47
Compound (SMILES): C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OC2CCOCC2)c1
InChIKey: FWNHSFRPPCLDQN-OAHLLOKOSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 485.53, ALogP 1.28, HBA 8, HBD 2, PSA 128.72, QED 0.46
Compound (SMILES): O=c1ccn(COCCCS(=O)(=O)NCc2cccc(OC(CF)CF)c2)c(=O)[nH]1
InChIKey: FSMZYVRSOXLNOQ-UHFFFAOYSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 2030 nM (pChEMBL 5.690000057220459)
Descriptors: MW 447.46, ALogP 0.71, HBA 7, HBD 2, PSA 119.49, QED 0.44
Compound (SMILES): C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC(F)(F)C(F)F)c1
InChIKey: KRCXYTQOQNPXCX-GFCCVEGCSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 830 nM (pChEMBL 6.079999923706055)
Descriptors: MW 483.44, ALogP 1.82, HBA 7, HBD 2, PSA 119.49, QED 0.35
Compound (SMILES): C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC(C)(C)C)c1
InChIKey: SKCXZDDCXCNOFT-MRXNPFEDSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 453.56, ALogP 2.01, HBA 7, HBD 2, PSA 119.49, QED 0.5
Compound (SMILES): C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)(F)F)c1
InChIKey: RLPKPOTVUHOBAJ-CYBMUJFWSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 230 nM (pChEMBL 6.639999866485596)
Descriptors: MW 465.45, ALogP 1.52, HBA 7, HBD 2, PSA 119.49, QED 0.49
Compound (SMILES): C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC(F)(F)F)c1
InChIKey: DTMAEUDOJBCJEZ-GFCCVEGCSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 230 nM (pChEMBL 6.639999866485596)
Descriptors: MW 483.44, ALogP 1.66, HBA 7, HBD 2, PSA 119.49, QED 0.37
Compound (SMILES): C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC(F)(F)C(F)(F)F)c1
InChIKey: DIXIVHSFIQMSGG-GFCCVEGCSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 410 nM (pChEMBL 6.389999866485596)
Descriptors: MW 501.43, ALogP 2.12, HBA 7, HBD 2, PSA 119.49, QED 0.36
Compound (SMILES): C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC(CF)CF)c1
InChIKey: GVCRLLKWBQLTCX-CQSZACIVSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 850 nM (pChEMBL 6.070000171661377)
Descriptors: MW 461.49, ALogP 1.27, HBA 7, HBD 2, PSA 119.49, QED 0.43
Compound (SMILES): C#CCOc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1
InChIKey: IUQYEXNYGXRMGR-OAHLLOKOSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 1180 nM (pChEMBL 5.929999828338623)
Descriptors: MW 421.48, ALogP 0.59, HBA 7, HBD 2, PSA 119.49, QED 0.4
Compound (SMILES): CC(C)COc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1
InChIKey: RGLJKKGWIBLDPC-MRXNPFEDSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 439.53, ALogP 1.62, HBA 7, HBD 2, PSA 119.49, QED 0.49
Compound (SMILES): CC[C@H](C)COc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1
InChIKey: RHBUERRQQKUTFP-DLBZAZTESA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 720 nM (pChEMBL 6.139999866485596)
Descriptors: MW 453.56, ALogP 2.01, HBA 7, HBD 2, PSA 119.49, QED 0.45
Compound (SMILES): C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2(C)CC2)c1
InChIKey: DUEWEMRWUWWRDA-MRXNPFEDSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 490 nM (pChEMBL 6.309999942779541)
Descriptors: MW 451.55, ALogP 1.76, HBA 7, HBD 2, PSA 119.49, QED 0.47
Compound (SMILES): C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)F)c1
InChIKey: CWJODOXDFWRIIH-CYBMUJFWSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 447.46, ALogP 1.23, HBA 7, HBD 2, PSA 119.49, QED 0.47
Compound (SMILES): C#C[C@H](C)Oc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1
InChIKey: OTYBPLJTYYCTOB-JKSUJKDBSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 435.5, ALogP 0.98, HBA 7, HBD 2, PSA 119.49, QED 0.4
Compound (SMILES): C#C[C@@H](C)Oc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1
InChIKey: OTYBPLJTYYCTOB-HZPDHXFCSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 470 nM (pChEMBL 6.329999923706055)
Descriptors: MW 435.5, ALogP 0.98, HBA 7, HBD 2, PSA 119.49, QED 0.4
Compound (SMILES): C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCCF)c1
InChIKey: BVCAZSWFWLRYJI-CQSZACIVSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 410 nM (pChEMBL 6.389999866485596)
Descriptors: MW 429.47, ALogP 0.93, HBA 7, HBD 2, PSA 119.49, QED 0.48
Compound (SMILES): C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CCCC2)c1
InChIKey: IYRWELNHGPTBDV-QGZVFWFLSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 465.57, ALogP 2.15, HBA 7, HBD 2, PSA 119.49, QED 0.46
Compound (SMILES): CC[C@@H](C)Oc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1
InChIKey: AZZLKAXBBBPKGN-HZPDHXFCSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 460 nM (pChEMBL 6.340000152587891)
Descriptors: MW 439.53, ALogP 1.76, HBA 7, HBD 2, PSA 119.49, QED 0.49
Compound (SMILES): CC[C@H](C)Oc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1
InChIKey: AZZLKAXBBBPKGN-JKSUJKDBSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 430 nM (pChEMBL 6.369999885559082)
Descriptors: MW 439.53, ALogP 1.76, HBA 7, HBD 2, PSA 119.49, QED 0.49
Compound (SMILES): C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC(F)F)c1
InChIKey: AQPICWJFXMUEKT-GFCCVEGCSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 465.45, ALogP 1.36, HBA 7, HBD 2, PSA 119.49, QED 0.46
Compound (SMILES): C=CCOc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1
InChIKey: CJYCIADEIAPASR-OAHLLOKOSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 740 nM (pChEMBL 6.130000114440918)
Descriptors: MW 423.49, ALogP 1.15, HBA 7, HBD 2, PSA 119.49, QED 0.39
Compound (SMILES): CCC[C@H](C)Oc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1
InChIKey: PMCOQUFGLFFLOJ-DLBZAZTESA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 760 nM (pChEMBL 6.119999885559082)
Descriptors: MW 453.56, ALogP 2.15, HBA 7, HBD 2, PSA 119.49, QED 0.45
Compound (SMILES): CCC[C@@H](C)Oc1cccc([C@@H](C)NS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1
InChIKey: PMCOQUFGLFFLOJ-IAGOWNOFSA-N
Target: Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P33316
Assay: Inhibition Assay: The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
Measurement: IC50 = 930 nM (pChEMBL 6.03000020980835)
Descriptors: MW 453.56, ALogP 2.15, HBA 7, HBD 2, PSA 119.49, QED 0.45