lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(Nc1ccc(F)cc1)[C@@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12
InChIKey: ALZKIEOFIQKKKY-TZIWHRDSSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS14 from human SST3 expressed in CHO membrane after 60 to 90 mins by scintillation counting
Measurement: Ki = 387 nM (pChEMBL 6.409999847412109)
Descriptors: MW 365.45, ALogP 4.59, HBA 2, HBD 3, PSA 56.92, QED 0.62
Compound (SMILES): O=C(N[C@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1
InChIKey: KCYOCCOLGUUYQZ-RTWAWAEBSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS14 from human SST3 expressed in CHO membrane after 60 to 90 mins by scintillation counting
Measurement: Ki = 293 nM (pChEMBL 6.53000020980835)
Descriptors: MW 365.45, ALogP 4.14, HBA 2, HBD 3, PSA 56.92, QED 0.64
Compound (SMILES): CCCCC(NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCCN)C(=O)OC
InChIKey: KEATTYUTWJKTRT-DJHGOXGWSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS14 from human SST3 expressed in CHO membrane after 60 to 90 mins by scintillation counting
Measurement: Ki = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 584.67, ALogP 2.79, HBA 8, HBD 5, PSA 194.79, QED 0.08
Compound (SMILES): CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCCN(C)CCC[C@@]4(c5ccc(F)cc5)OCc5cc(C#N)ccc54)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1
InChIKey: IWWHJVANFFIWSJ-GNFJTHHVSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of 5-hydroxy[3H]tryptamine uptake at human SERT expressed in African green monkey COS7 cells incubated for 10 mins prior to radioligand addition measured after 5 mins by scintillation counting analysis
Measurement: Ki = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 1021.29
Compound (SMILES): CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCCCCN(C)CCC[C@@]4(c5ccc(F)cc5)OCc5cc(C#N)ccc54)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1
InChIKey: HDOQLXMDBHVEMJ-SMWREMLRSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of 5-hydroxy[3H]tryptamine uptake at human SERT expressed in African green monkey COS7 cells incubated for 10 mins prior to radioligand addition measured after 5 mins by scintillation counting analysis
Measurement: Ki = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 1049.34
Compound (SMILES): CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCCc4ccc5c(c4)CO[C@@]5(CCCN(C)C)c4ccc(F)cc4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1
InChIKey: OQGUIOWSTCLFME-GNFJTHHVSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of 5-hydroxy[3H]tryptamine uptake at human SERT expressed in African green monkey COS7 cells incubated for 10 mins prior to radioligand addition measured after 5 mins by scintillation counting analysis
Measurement: Ki = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 1010.31
Compound (SMILES): CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCc4ccc5c(c4)CO[C@@]5(CCCN(C)C)c4ccc(F)cc4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1
InChIKey: NEVFWHLXCFNVPG-DTSDQNDWSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of 5-hydroxy[3H]tryptamine uptake at human SERT expressed in African green monkey COS7 cells incubated for 10 mins prior to radioligand addition measured after 5 mins by scintillation counting analysis
Measurement: Ki = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 982.25, ALogP 8.18, HBA 10, HBD 2, PSA 164.33, QED 0.03
Compound (SMILES): COc1nc2cccnc2n1-c1ccc(C(=O)c2nc3ccccc3[nH]2)cc1
InChIKey: MFKLUUCPGWELPI-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y233
Assay: Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay
Measurement: IC50 = 15.1 nM (pChEMBL 7.820000171661377)
Descriptors: MW 369.38, ALogP 3.54, HBA 6, HBD 1, PSA 85.69, QED 0.49
Compound (SMILES): COc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIKey: JDHJPXLXVWEFKE-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y233
Assay: Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay
Measurement: IC50 = 0.5 nM (pChEMBL 9.300000190734863)
Descriptors: MW 356.39, ALogP 4.05, HBA 6, HBD 2, PSA 80.65, QED 0.51
Compound (SMILES): COc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3s2)cc1
InChIKey: UZZCBYZCZIZXDV-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y233
Assay: Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay
Measurement: IC50 = 5.7 nM (pChEMBL 8.239999771118164)
Descriptors: MW 373.44, ALogP 4.78, HBA 7, HBD 1, PSA 64.86, QED 0.49
Compound (SMILES): COc1nc2cccnc2n1-c1ccc(Nc2ccc3ccccc3n2)cc1
InChIKey: IIWKEXDGRXRYBR-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y233
Assay: Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay
Measurement: IC50 = 115 nM (pChEMBL 6.940000057220459)
Descriptors: MW 367.41, ALogP 4.72, HBA 6, HBD 1, PSA 64.86, QED 0.5
Compound (SMILES): COc1nc2cccnc2n1-c1ccc(Nc2ccc(Cl)cn2)cc1
InChIKey: ONTIBEYEXJAJRW-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y233
Assay: Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay
Measurement: IC50 = 39.8 nM (pChEMBL 7.400000095367432)
Descriptors: MW 351.8, ALogP 4.22, HBA 6, HBD 1, PSA 64.86, QED 0.6
Compound (SMILES): COc1nc2cccnc2n1-c1ccc(Nc2ccc(C)cn2)cc1
InChIKey: ZAIBUTICQXDSIC-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y233
Assay: Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay
Measurement: IC50 = 4.1 nM (pChEMBL 8.390000343322754)
Descriptors: MW 331.38, ALogP 3.88, HBA 6, HBD 1, PSA 64.86, QED 0.61
Compound (SMILES): Nc1cccnc1Nc1ccc(Nc2nc3ccccc3s2)cc1
InChIKey: DATNNLIXCYIXKR-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y233
Assay: Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay
Measurement: IC50 = 404 nM (pChEMBL 6.389999866485596)
Descriptors: MW 333.42, ALogP 4.76, HBA 6, HBD 3, PSA 75.86, QED 0.5
Compound (SMILES): c1ccc2sc(Nc3ccc(-n4cnc5cccnc54)cc3)nc2c1
InChIKey: FHXUUWFFJYEWSR-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y233
Assay: Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay
Measurement: IC50 = 105 nM (pChEMBL 6.980000019073486)
Descriptors: MW 343.42, ALogP 4.77, HBA 6, HBD 1, PSA 55.63, QED 0.51
Compound (SMILES): Cc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3s2)cc1
InChIKey: JUWAIZPCKVYECW-UHFFFAOYSA-N
Target: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y233
Assay: Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay
Measurement: IC50 = 36.8 nM (pChEMBL 7.429999828338623)
Descriptors: MW 357.44, ALogP 5.08, HBA 6, HBD 1, PSA 55.63, QED 0.49
Compound (SMILES): Cc1c(OCCCCOc2ccc(C(=O)O)cc2)ccc(C(=O)CC(C)C)c1O
InChIKey: ULWCVJYRXWBACL-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 122 nM (pChEMBL 6.909999847412109)
Descriptors: MW 400.47, ALogP 4.87, HBA 5, HBD 2, PSA 93.06, QED 0.41
Compound (SMILES): Cc1c(OCCCCOc2ccc(C(=O)O)cc2)ccc(C(=O)CC2CCCC2)c1O
InChIKey: LAYLGZDXNCBQLL-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 824 nM (pChEMBL 6.079999923706055)
Descriptors: MW 426.51, ALogP 5.4, HBA 5, HBD 2, PSA 93.06, QED 0.37
Compound (SMILES): Cc1c(OCCCCOc2cccc(C(=O)O)c2)ccc(C(=O)CC(C)C)c1O
InChIKey: BTAUFYWICSLREV-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 222 nM (pChEMBL 6.650000095367432)
Descriptors: MW 400.47, ALogP 4.87, HBA 5, HBD 2, PSA 93.06, QED 0.41
Compound (SMILES): Cc1c(OCCCCOc2cccc(C(=O)O)c2)ccc(C(=O)CC2CCCC2)c1O
InChIKey: UUGVIOPJBPICMU-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 451 nM (pChEMBL 6.349999904632568)
Descriptors: MW 426.51, ALogP 5.4, HBA 5, HBD 2, PSA 93.06, QED 0.37
Compound (SMILES): Cc1c(OCCCCOc2ccccc2C(=O)O)ccc(C(=O)CC(C)C)c1C
InChIKey: OPZYRVOATYJQKL-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 976 nM (pChEMBL 6.010000228881836)
Descriptors: MW 398.5, ALogP 5.47, HBA 4, HBD 1, PSA 72.83, QED 0.4
Compound (SMILES): Cc1c(OCCCCOc2ccccc2C(=O)O)ccc(C(=O)CC2CCCC2)c1C
InChIKey: FEUQJCOEWPDNTP-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 2581 nM (pChEMBL 5.590000152587891)
Descriptors: MW 424.54, ALogP 6, HBA 4, HBD 1, PSA 72.83, QED 0.35
Compound (SMILES): Cc1c(OCCCCOc2ccccc2C(=O)O)ccc(C(=O)CC(C)C)c1O
InChIKey: SEVOKEKAFIENJT-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 415 nM (pChEMBL 6.380000114440918)
Descriptors: MW 400.47, ALogP 4.87, HBA 5, HBD 2, PSA 93.06, QED 0.41
Compound (SMILES): Cc1c(OCCCCOc2ccccc2C(=O)O)ccc(C(=O)CC2CCCC2)c1O
InChIKey: BEUNEJBKONPURI-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 335 nM (pChEMBL 6.46999979019165)
Descriptors: MW 426.51, ALogP 5.4, HBA 5, HBD 2, PSA 93.06, QED 0.37
Compound (SMILES): Cc1c(OCCCCOc2ccc(C(=O)O)c(Cl)c2)ccc(C(=O)CC(C)C)c1C
InChIKey: KKVAPGOSXQMQEO-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 432.94, ALogP 6.12, HBA 4, HBD 1, PSA 72.83, QED 0.34
Compound (SMILES): Cc1c(OCCCCOc2ccc(C(=O)O)c(Cl)c2)ccc(C(=O)CC2CCCC2)c1C
InChIKey: AZZBYVJNGSNGGS-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 2415 nM (pChEMBL 5.619999885559082)
Descriptors: MW 458.98, ALogP 6.66, HBA 4, HBD 1, PSA 72.83, QED 0.3
Compound (SMILES): Cc1c(OCCCCOc2ccc(C(=O)O)c(Cl)c2)ccc(C(=O)CC(C)C)c1O
InChIKey: PAYKRCRBFFSZFN-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 151 nM (pChEMBL 6.820000171661377)
Descriptors: MW 434.92, ALogP 5.52, HBA 5, HBD 2, PSA 93.06, QED 0.36
Compound (SMILES): Cc1c(OCCCCOc2ccc(C(=O)O)c(Cl)c2)ccc(C(=O)CC2CCCC2)c1O
InChIKey: ZNRWBONOBRNVRG-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 460.95, ALogP 6.05, HBA 5, HBD 2, PSA 93.06, QED 0.31
Compound (SMILES): Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)C)c1O
InChIKey: VOAWHZVCPXGDSD-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 153 nM (pChEMBL 6.820000171661377)
Descriptors: MW 418.46, ALogP 5, HBA 5, HBD 2, PSA 93.06, QED 0.39
Compound (SMILES): Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC2CCCC2)c1O
InChIKey: ZDFSALGWQWSKTM-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 699 nM (pChEMBL 6.159999847412109)
Descriptors: MW 444.5, ALogP 5.54, HBA 5, HBD 2, PSA 93.06, QED 0.35
Compound (SMILES): Cc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C
InChIKey: IXQOSACEYQVKSU-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 454 nM (pChEMBL 6.340000152587891)
Descriptors: MW 414.5, ALogP 5.17, HBA 5, HBD 2, PSA 93.06, QED 0.39
Compound (SMILES): Cc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C
InChIKey: XCACYPAKNKDVCI-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 1290 nM (pChEMBL 5.889999866485596)
Descriptors: MW 440.54, ALogP 5.71, HBA 5, HBD 2, PSA 93.06, QED 0.34
Compound (SMILES): Cc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C
InChIKey: OEWHGJIKBWWFSY-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 192 nM (pChEMBL 6.71999979019165)
Descriptors: MW 414.5, ALogP 5.17, HBA 5, HBD 2, PSA 93.06, QED 0.39
Compound (SMILES): Cc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C
InChIKey: CAJHCTPZQASQJH-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 608 nM (pChEMBL 6.21999979019165)
Descriptors: MW 440.54, ALogP 5.71, HBA 5, HBD 2, PSA 93.06, QED 0.34
Compound (SMILES): Cc1c(OCCCCOc2ccc(C(=O)O)cc2F)ccc(C(=O)CC(C)C)c1O
InChIKey: XGADSIWWVNFIKN-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 102 nM (pChEMBL 6.989999771118164)
Descriptors: MW 418.46, ALogP 5, HBA 5, HBD 2, PSA 93.06, QED 0.39
Compound (SMILES): Cc1c(OCCCCOc2ccc(C(=O)O)cc2F)ccc(C(=O)CC2CCCC2)c1O
InChIKey: AHUPDZVGRGKGHK-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 639 nM (pChEMBL 6.190000057220459)
Descriptors: MW 444.5, ALogP 5.54, HBA 5, HBD 2, PSA 93.06, QED 0.35
Compound (SMILES): COc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C
InChIKey: XJICBRVIAXTUNH-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 430.5, ALogP 4.87, HBA 6, HBD 2, PSA 102.29, QED 0.37
Compound (SMILES): Cc1c(OCCCCOCOc2ccc(C(=O)O)cc2)ccc(C(=O)CC2CCCC2)c1O
InChIKey: WIKSLWGWAGNVMC-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 228 nM (pChEMBL 6.639999866485596)
Descriptors: MW 456.54, ALogP 5.37, HBA 6, HBD 2, PSA 102.29, QED 0.24
Compound (SMILES): Cc1c(OCCCCOc2ccc(C(=O)O)cc2Cl)ccc(C(=O)CC(C)C)c1O
InChIKey: DOUCTXYLBQZORZ-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 96 nM (pChEMBL 7.019999980926514)
Descriptors: MW 434.92, ALogP 5.52, HBA 5, HBD 2, PSA 93.06, QED 0.36
Compound (SMILES): Cc1c(OCCCCOc2ccc(C(=O)O)cc2Cl)ccc(C(=O)CC2CCCC2)c1O
InChIKey: XIWVJTYJVVEJHE-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 237 nM (pChEMBL 6.619999885559082)
Descriptors: MW 460.95, ALogP 6.05, HBA 5, HBD 2, PSA 93.06, QED 0.31
Compound (SMILES): Cc1cc(OCCCCOc2ccc(C(=O)CC(C)C)c(O)c2C)ccc1C(=O)O
InChIKey: SZENSIMCFJFUGR-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 173 nM (pChEMBL 6.760000228881836)
Descriptors: MW 414.5, ALogP 5.17, HBA 5, HBD 2, PSA 93.06, QED 0.39
Compound (SMILES): Cc1cc(OCCCCOc2ccc(C(=O)CC3CCCC3)c(O)c2C)ccc1C(=O)O
InChIKey: MFELYFVXYIXMNP-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 564 nM (pChEMBL 6.25)
Descriptors: MW 440.54, ALogP 5.71, HBA 5, HBD 2, PSA 93.06, QED 0.34
Compound (SMILES): COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C
InChIKey: TYYKQQMKUKSDJB-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 155 nM (pChEMBL 6.809999942779541)
Descriptors: MW 430.5, ALogP 4.87, HBA 6, HBD 2, PSA 102.29, QED 0.37
Compound (SMILES): COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C
InChIKey: RTZLGAJHKLYQLG-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 425 nM (pChEMBL 6.369999885559082)
Descriptors: MW 456.54, ALogP 5.41, HBA 6, HBD 2, PSA 102.29, QED 0.33
Compound (SMILES): COc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(C)=O)c(O)c1C
InChIKey: GVGMDPZYUHZPRH-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 161 nM (pChEMBL 6.789999961853027)
Descriptors: MW 388.42, ALogP 3.85, HBA 6, HBD 2, PSA 102.29, QED 0.47
Compound (SMILES): COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(C)=O)c(O)c1C
InChIKey: STILBAKCFOJDEJ-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 1091 nM (pChEMBL 5.960000038146973)
Descriptors: MW 388.42, ALogP 3.85, HBA 6, HBD 2, PSA 102.29, QED 0.47
Compound (SMILES): CC(=O)c1ccc(OCCCCOc2cccc(C(=O)O)c2C)c(C)c1O
InChIKey: ZSCQZDLGNFDBQE-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 372.42, ALogP 4.15, HBA 5, HBD 2, PSA 93.06, QED 0.51
Compound (SMILES): CC(=O)c1ccc(OCCCCOc2ccc(F)c(C(=O)O)c2)c(C)c1O
InChIKey: DVMQMYPMDYFXOM-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 259 nM (pChEMBL 6.590000152587891)
Descriptors: MW 376.38, ALogP 3.98, HBA 5, HBD 2, PSA 93.06, QED 0.51
Compound (SMILES): CC(=O)c1ccc(OCCCCOc2ccc(C(=O)O)cc2C)c(C)c1O
InChIKey: OXGMPDOPABHVNE-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 372.42, ALogP 4.15, HBA 5, HBD 2, PSA 93.06, QED 0.51
Compound (SMILES): CCC(=O)c1ccc(OCCCCOc2ccc(C(=O)O)cc2OC)c(C)c1O
InChIKey: TYLPYGPQYGWMJV-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 114 nM (pChEMBL 6.940000057220459)
Descriptors: MW 402.44, ALogP 4.24, HBA 6, HBD 2, PSA 102.29, QED 0.43
Compound (SMILES): CCC(=O)c1ccc(OCCCCOc2cc(C(=O)O)ccc2OC)c(C)c1O
InChIKey: CJVXZWPOBFMNMR-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 162 nM (pChEMBL 6.789999961853027)
Descriptors: MW 402.44, ALogP 4.24, HBA 6, HBD 2, PSA 102.29, QED 0.43
Compound (SMILES): CCC(=O)c1ccc(OCCCCOc2cccc(C(=O)O)c2C)c(C)c1O
InChIKey: IJFQTXCPWGHGAF-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 62 nM (pChEMBL 7.210000038146973)
Descriptors: MW 386.44, ALogP 4.54, HBA 5, HBD 2, PSA 93.06, QED 0.46
Compound (SMILES): CCC(=O)c1ccc(OCCCCOc2ccc(F)c(C(=O)O)c2)c(C)c1O
InChIKey: RFEQZFYDZPGTDR-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 124 nM (pChEMBL 6.909999847412109)
Descriptors: MW 390.41, ALogP 4.37, HBA 5, HBD 2, PSA 93.06, QED 0.46
Compound (SMILES): CCC(=O)c1ccc(OCCCCOc2ccc(C(=O)O)cc2C)c(C)c1O
InChIKey: MYVWUBMGTKFSLD-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 82 nM (pChEMBL 7.090000152587891)
Descriptors: MW 386.44, ALogP 4.54, HBA 5, HBD 2, PSA 93.06, QED 0.46
Compound (SMILES): COc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)C(C)C)c(O)c1C
InChIKey: FXHWDUICKDQMSQ-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 113 nM (pChEMBL 6.949999809265137)
Descriptors: MW 416.47, ALogP 4.48, HBA 6, HBD 2, PSA 102.29, QED 0.41
Compound (SMILES): COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)C(C)C)c(O)c1C
InChIKey: FUXYSTKAKGRHGE-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 116 nM (pChEMBL 6.940000057220459)
Descriptors: MW 416.47, ALogP 4.48, HBA 6, HBD 2, PSA 102.29, QED 0.41
Compound (SMILES): Cc1c(OCCCCOc2ccc(C(=O)C(C)C)c(O)c2C)cccc1C(=O)O
InChIKey: RLSPXUNIOXLCQZ-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 149 nM (pChEMBL 6.829999923706055)
Descriptors: MW 400.47, ALogP 4.78, HBA 5, HBD 2, PSA 93.06, QED 0.44
Compound (SMILES): Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)C(C)C)c1O
InChIKey: MRRXLHMXKIDHKD-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 171 nM (pChEMBL 6.769999980926514)
Descriptors: MW 404.43, ALogP 4.61, HBA 5, HBD 2, PSA 93.06, QED 0.44
Compound (SMILES): Cc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)C(C)C)c(O)c1C
InChIKey: ZZNYQOUFLKFQTC-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 234 nM (pChEMBL 6.630000114440918)
Descriptors: MW 400.47, ALogP 4.78, HBA 5, HBD 2, PSA 93.06, QED 0.44
Compound (SMILES): CCCC(=O)c1ccc(OCCCCOc2c(OC)cccc2C(=O)O)c(C)c1O
InChIKey: JUJXMFHCVVWQIP-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 416.47, ALogP 4.63, HBA 6, HBD 2, PSA 102.29, QED 0.38
Compound (SMILES): CCCC(=O)c1ccc(OCCCCOc2cc(C(=O)O)ccc2OC)c(C)c1O
InChIKey: CYOPXIQIQFTMBB-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 103 nM (pChEMBL 6.989999771118164)
Descriptors: MW 416.47, ALogP 4.63, HBA 6, HBD 2, PSA 102.29, QED 0.38
Compound (SMILES): CCCC(=O)c1ccc(OCCCCOc2cccc(C(=O)O)c2C)c(C)c1O
InChIKey: RTZVIXOIFJEZOY-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 400.47, ALogP 4.93, HBA 5, HBD 2, PSA 93.06, QED 0.41
Compound (SMILES): CCCC(=O)c1ccc(OCCCCOc2ccc(F)c(C(=O)O)c2)c(C)c1O
InChIKey: DTKQPIBBUQRAQX-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 74 nM (pChEMBL 7.130000114440918)
Descriptors: MW 404.43, ALogP 4.76, HBA 5, HBD 2, PSA 93.06, QED 0.41
Compound (SMILES): CCCC(=O)c1ccc(OCCCCOc2ccc(C(=O)O)cc2C)c(C)c1O
InChIKey: AAIOMRHKGUVZIS-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 104 nM (pChEMBL 6.980000019073486)
Descriptors: MW 400.47, ALogP 4.93, HBA 5, HBD 2, PSA 93.06, QED 0.41
Compound (SMILES): COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C
InChIKey: AOYJKNKRKBOUAP-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 184 nM (pChEMBL 6.739999771118164)
Descriptors: MW 444.52, ALogP 5.26, HBA 6, HBD 2, PSA 102.29, QED 0.36
Compound (SMILES): COc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C
InChIKey: UJDHAHLKIGUYNG-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 444.52, ALogP 5.26, HBA 6, HBD 2, PSA 102.29, QED 0.36
Compound (SMILES): Cc1c(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cccc1C(=O)O
InChIKey: AXCUOQYTJKESER-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 136 nM (pChEMBL 6.869999885559082)
Descriptors: MW 428.53, ALogP 5.56, HBA 5, HBD 2, PSA 93.06, QED 0.38
Compound (SMILES): Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O
InChIKey: CWZPRSAZWABAER-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 2 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31421
Assay: Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
Measurement: EC50 = 208 nM (pChEMBL 6.679999828338623)
Descriptors: MW 432.49, ALogP 5.39, HBA 5, HBD 2, PSA 93.06, QED 0.39
Compound (SMILES): Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)[C@]2(C)O
InChIKey: RTKDBIDPGKCZJS-KPZWWZAWSA-N
Target: EZH2/SUZ12/EED complex (PROTEIN COMPLEX), Homo sapiens
UniProt: O75530
Assay: Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionine as substrate after 2 hrs by TR-FRET assay
Measurement: IC50 = 520 nM (pChEMBL 6.28000020980835)
Descriptors: MW 312.32, ALogP 2.15, HBA 5, HBD 2, PSA 87.74, QED 0.73
Compound (SMILES): Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](O)[C@]2(C)O
InChIKey: RTKDBIDPGKCZJS-KZULUSFZSA-N
Target: Histone-lysine N-methyltransferase EZH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15910
Assay: Inhibition of EZH2 (unknown origin)
Measurement: IC50 = 550 nM (pChEMBL 6.260000228881836)
Descriptors: MW 312.32, ALogP 2.15, HBA 5, HBD 2, PSA 87.74, QED 0.73
Compound (SMILES): CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21
InChIKey: FKSFKBQGSFSOSM-QFIPXVFZSA-N
Target: Histone-lysine N-methyltransferase EZH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15910
Assay: Binding affinity to EZH2 (unknown origin) in PRC2 complex assessed as dissociation constant
Measurement: Kd = 60.71 nM (pChEMBL 7.21999979019165)
Descriptors: MW 526.69, ALogP 4.63, HBA 6, HBD 3, PSA 95.05, QED 0.33
Compound (SMILES): Cc1cc(C(=O)N[C@H]2CC[C@@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4CN4CCOCC4)c3)CC2)nn1C
InChIKey: HHMPSPSPFJQPAI-MKPDMIMOSA-N
Target: 3',5'-cyclic-AMP phosphodiesterase 4B (SINGLE PROTEIN), Homo sapiens
UniProt: Q07343
Assay: Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis
Measurement: IC50 = 0.01585 nM (pChEMBL 10.800000190734863)
Descriptors: MW 642.73, ALogP 4.73, HBA 9, HBD 3, PSA 130.84, QED 0.24
Compound (SMILES): COc1ccc(NC(=N)c2ccccc2)cc1CSC1CCCC1
InChIKey: LLZBQBVJQFUAEA-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 340.49, ALogP 5.31, HBA 3, HBD 2, PSA 45.11, QED 0.55
Compound (SMILES): COc1ccc(NC(=N)c2cc(C)cs2)cc1CSC1CCCC1
InChIKey: ZLYCMIZLMFOWPA-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 360.55, ALogP 5.68, HBA 4, HBD 2, PSA 45.11, QED 0.51
Compound (SMILES): COc1ccc(NC(=N)c2cc(Br)cs2)cc1CSC1CCCC1
InChIKey: UMDVDYKENSOGGC-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 425.42, ALogP 6.13, HBA 4, HBD 2, PSA 45.11, QED 0.43
Compound (SMILES): COc1ccc(NC(=N)c2ccc(Br)s2)cc1CSC1CCCC1
InChIKey: YIFZOCGGXONSPD-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 425.42, ALogP 6.13, HBA 4, HBD 2, PSA 45.11, QED 0.43
Compound (SMILES): COc1ccc(NC(=N)c2ccc(Cl)cc2)cc1CSC1CCCC1
InChIKey: DUXIZOUPWNWNDN-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 374.94, ALogP 5.96, HBA 3, HBD 2, PSA 45.11, QED 0.48
Compound (SMILES): COc1ccc(NC(=N)Cc2ccccc2)cc1CSC1CCCC1
InChIKey: FZLSOKNZWMSLFG-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 354.52, ALogP 5.5, HBA 3, HBD 2, PSA 45.11, QED 0.51
Compound (SMILES): CCC(=N)Nc1ccc(OC)c(CSC2CCCC2)c1
InChIKey: MUILTTUKMMSJIM-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 > 39810.72 nM (pChEMBL 4.400000095367432)
Descriptors: MW 292.45, ALogP 4.67, HBA 3, HBD 2, PSA 45.11, QED 0.59
Compound (SMILES): COc1ccc(NC(=N)c2nccs2)cc1CSC1CCCC1
InChIKey: ZLLLCWPIBGHPSL-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 347.51, ALogP 4.76, HBA 5, HBD 2, PSA 58, QED 0.58
Compound (SMILES): COc1ccc(NC(=N)c2ccncc2)cc1CSC1CCCC1
InChIKey: HNJFTSSAXBPOND-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 341.48, ALogP 4.7, HBA 4, HBD 2, PSA 58, QED 0.59
Compound (SMILES): COc1ccc(NC(=N)c2cccnc2)cc1CSC1CCCC1
InChIKey: YBUAAZCBBZGPCT-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 341.48, ALogP 4.7, HBA 4, HBD 2, PSA 58, QED 0.59
Compound (SMILES): COc1ccc(NC(=O)c2cccs2)cc1CSC1CCCC1
InChIKey: KIBYOEHXJOJYGK-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 347.5, ALogP 5.18, HBA 4, HBD 1, PSA 38.33, QED 0.78
Compound (SMILES): C/N=C(/Nc1ccc(OC)c(CSC2CCCC2)c1)c1cccs1
InChIKey: HEWBOAJFYPRKLD-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 360.55, ALogP 5.42, HBA 4, HBD 1, PSA 33.62, QED 0.55
Compound (SMILES): C/N=C(\c1cccs1)N(C)c1ccc(OC)c(CSC2CCCC2)c1
InChIKey: HWRYSNUSIZFAMD-QZQOTICOSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 > 39810.72 nM (pChEMBL 4.400000095367432)
Descriptors: MW 374.58, ALogP 5.45, HBA 4, HBD 0, PSA 24.83, QED 0.5
Compound (SMILES): COc1ccc(Nc2ccccn2)cc1CSC1CCCC1
InChIKey: SUHZGHAGDXLXKN-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 12589.25 nM (pChEMBL 4.900000095367432)
Descriptors: MW 314.45, ALogP 5.01, HBA 4, HBD 1, PSA 34.15, QED 0.81
Compound (SMILES): COc1ccc(C(=N)Nc2ccccc2)cc1CSC1CCCC1
InChIKey: AZWSPEWRPOQSSX-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 340.49, ALogP 5.31, HBA 3, HBD 2, PSA 45.11, QED 0.55
Compound (SMILES): N=C(Nc1cccc(CSC2CCCC2)c1)c1cccs1
InChIKey: CZNOVFZVCWXLGM-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 316.5, ALogP 5.36, HBA 3, HBD 2, PSA 35.88, QED 0.58
Compound (SMILES): Cc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
InChIKey: PLOKDSGGBORVEF-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 330.52, ALogP 5.67, HBA 3, HBD 2, PSA 35.88, QED 0.55
Compound (SMILES): N=C(Nc1ccc(F)c(CSC2CCCC2)c1)c1cccs1
InChIKey: WCCVFAXBWWJDHU-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 334.49, ALogP 5.5, HBA 3, HBD 2, PSA 35.88, QED 0.56
Compound (SMILES): N=C(Nc1ccc(Cl)c(CSC2CCCC2)c1)c1cccs1
InChIKey: DSJGZGZLLJYVLQ-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 350.94, ALogP 6.01, HBA 3, HBD 2, PSA 35.88, QED 0.51
Compound (SMILES): N=C(Nc1ccc(OC(F)(F)F)c(CSC2CCCC2)c1)c1cccs1
InChIKey: LRKLBIWVBTXVDV-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 400.49, ALogP 6.26, HBA 4, HBD 2, PSA 45.11, QED 0.44
Compound (SMILES): COc1ccc(NC(=N)c2ccccc2)cc1C[S+]([O-])C1CCCC1
InChIKey: QHFZIPSASAAIHW-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 > 39810.72 nM (pChEMBL 4.400000095367432)
Descriptors: MW 356.49, ALogP 4.32, HBA 3, HBD 2, PSA 68.17, QED 0.46
Compound (SMILES): COc1ccc(NC(=N)c2ccccc2)cc1CS(=O)(=O)C1CCCC1
InChIKey: BJTFMCGKNTUOFD-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 31622.78 nM (pChEMBL 4.5)
Descriptors: MW 372.49, ALogP 3.99, HBA 4, HBD 2, PSA 79.25, QED 0.59
Compound (SMILES): COc1ccc(NC(=N)c2cccs2)cc1COC1CCCC1
InChIKey: JTMGSDNWDDZSAN-UHFFFAOYSA-N
Target: Pyroglutamylated RF-amide peptide receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P65
Assay: Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay
Measurement: IC50 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 330.45, ALogP 4.65, HBA 4, HBD 2, PSA 54.34, QED 0.6