lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Fc1ccc(-c2csc(-n3cc(-c4nnn[nH]4)cn3)n2)cc1
InChIKey: LKMCFTQDIARYFG-UHFFFAOYSA-N
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14432
Assay: Inhibition of human PDE3A using FAM-cAMP by fluorescence polarization assay
Measurement: IC50 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 313.32, ALogP 2.31, HBA 7, HBD 1, PSA 85.17, QED 0.63
Compound (SMILES): Fc1cccc(-c2csc(-n3cc(-c4nnn[nH]4)cn3)n2)c1
InChIKey: IHIHPZBXMJQSBT-UHFFFAOYSA-N
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14432
Assay: Inhibition of human PDE3A using FAM-cAMP by fluorescence polarization assay
Measurement: IC50 = 1450 nM (pChEMBL 5.840000152587891)
Descriptors: MW 313.32, ALogP 2.31, HBA 7, HBD 1, PSA 85.17, QED 0.63
Compound (SMILES): Fc1ccccc1-c1csc(-n2cc(-c3nnn[nH]3)cn2)n1
InChIKey: HMSXYYYTWGQSCT-UHFFFAOYSA-N
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14432
Assay: Inhibition of human PDE3A using FAM-cAMP by fluorescence polarization assay
Measurement: IC50 = 1890 nM (pChEMBL 5.71999979019165)
Descriptors: MW 313.32, ALogP 2.31, HBA 7, HBD 1, PSA 85.17, QED 0.63
Compound (SMILES): O=[N+]([O-])c1ccc(-c2csc(-n3cc(-c4nnn[nH]4)cn3)n2)cc1
InChIKey: LSAVDEWOBSLJGA-UHFFFAOYSA-N
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14432
Assay: Inhibition of human PDE3A using FAM-cAMP by fluorescence polarization assay
Measurement: IC50 = 6230 nM (pChEMBL 5.210000038146973)
Descriptors: MW 340.33, ALogP 2.08, HBA 9, HBD 1, PSA 128.31, QED 0.44
Compound (SMILES): O=[N+]([O-])c1cccc(-c2csc(-n3cc(-c4nnn[nH]4)cn3)n2)c1
InChIKey: GNRZLFBQKIWRTR-UHFFFAOYSA-N
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14432
Assay: Inhibition of human PDE3A using FAM-cAMP by fluorescence polarization assay
Measurement: IC50 = 6890 nM (pChEMBL 5.159999847412109)
Descriptors: MW 340.33, ALogP 2.08, HBA 9, HBD 1, PSA 128.31, QED 0.44
Compound (SMILES): O=[N+]([O-])c1ccccc1-c1csc(-n2cc(-c3nnn[nH]3)cn2)n1
InChIKey: XBTOPUQWHMBYJV-UHFFFAOYSA-N
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14432
Assay: Inhibition of human PDE3A using FAM-cAMP by fluorescence polarization assay
Measurement: IC50 = 7430 nM (pChEMBL 5.130000114440918)
Descriptors: MW 340.33, ALogP 2.08, HBA 9, HBD 1, PSA 128.31, QED 0.44
Compound (SMILES): Cc1cccc(-c2csc(-n3cc(-c4nnn[nH]4)cn3)n2)c1
InChIKey: CHMBXISHNYTOKL-UHFFFAOYSA-N
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14432
Assay: Inhibition of human PDE3A using FAM-cAMP by fluorescence polarization assay
Measurement: IC50 = 9120 nM (pChEMBL 5.039999961853027)
Descriptors: MW 309.36, ALogP 2.48, HBA 7, HBD 1, PSA 85.17, QED 0.63
Compound (SMILES): Cc1ccccc1-c1csc(-n2cc(-c3nnn[nH]3)cn2)n1
InChIKey: ZKUSGCJJBWRATE-UHFFFAOYSA-N
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14432
Assay: Inhibition of human PDE3A using FAM-cAMP by fluorescence polarization assay
Measurement: IC50 = 9890 nM (pChEMBL 5)
Descriptors: MW 309.36, ALogP 2.48, HBA 7, HBD 1, PSA 85.17, QED 0.63
Compound (SMILES): COc1ccc(-c2csc(-n3cc(-c4nnn[nH]4)cn3)n2)cc1
InChIKey: PLWQMYDSSJJNNV-UHFFFAOYSA-N
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14432
Assay: Inhibition of human PDE3A using FAM-cAMP by fluorescence polarization assay
Measurement: IC50 = 13440 nM (pChEMBL 4.869999885559082)
Descriptors: MW 325.36, ALogP 2.18, HBA 8, HBD 1, PSA 94.4, QED 0.62
Compound (SMILES): COc1cccc(-c2csc(-n3cc(-c4nnn[nH]4)cn3)n2)c1
InChIKey: CSFNAIBGRBBMOT-UHFFFAOYSA-N
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14432
Assay: Inhibition of human PDE3A using FAM-cAMP by fluorescence polarization assay
Measurement: IC50 = 14630 nM (pChEMBL 4.829999923706055)
Descriptors: MW 325.36, ALogP 2.18, HBA 8, HBD 1, PSA 94.4, QED 0.62
Compound (SMILES): COc1ccccc1-c1csc(-n2cc(-c3nnn[nH]3)cn2)n1
InChIKey: YZRHHOMSYGADKV-UHFFFAOYSA-N
Target: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14432
Assay: Inhibition of human PDE3A using FAM-cAMP by fluorescence polarization assay
Measurement: IC50 = 16420 nM (pChEMBL 4.789999961853027)
Descriptors: MW 325.36, ALogP 2.18, HBA 8, HBD 1, PSA 94.4, QED 0.62
Compound (SMILES): CCC(=O)N(c1ccccc1)C1CCN(CCc2ccc3c(c2)CCC[C@H]3N)CC1
InChIKey: UZJPLVWMJIMFHG-RUZDIDTESA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P33535
Assay: Displacement of [3H] DAMGO from rat mu-opioid receptor
Measurement: IC50 = 1737.8 nM (pChEMBL 5.760000228881836)
Descriptors: MW 405.59, ALogP 4.47, HBA 3, HBD 1, PSA 49.57, QED 0.77
Compound (SMILES): CCC(=O)N(CC1CCN(Cc2ccc3c(c2)CCC[C@H]3N)CC1)c1ccccc1
InChIKey: PWUFZWNSZQVLFV-RUZDIDTESA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P33535
Assay: Displacement of [3H] DAMGO from rat mu-opioid receptor
Measurement: IC50 = 1318.26 nM (pChEMBL 5.880000114440918)
Descriptors: MW 405.59, ALogP 4.68, HBA 3, HBD 1, PSA 49.57, QED 0.76
Compound (SMILES): CCC(=O)N(c1ccccc1)C1CCN(Cc2ccc3c(c2)CCC[C@H]3N)CC1
InChIKey: VBCZHLDOYLCXOK-XMMPIXPASA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P33535
Assay: Displacement of [3H] DAMGO from rat mu-opioid receptor
Measurement: IC50 = 95.5 nM (pChEMBL 7.019999980926514)
Descriptors: MW 391.56, ALogP 4.43, HBA 3, HBD 1, PSA 49.57, QED 0.82
Compound (SMILES): C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1
InChIKey: YMTIKNJPMOZWQC-KKCBMOPLSA-N
Target: Muscarinic acetylcholine receptor M2 (SINGLE PROTEIN), Homo sapiens
UniProt: P08172
Assay: Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay
Measurement: EC50 = 65.4 nM (pChEMBL 7.179999828338623)
Descriptors: MW 445.54, ALogP 4.7, HBA 3, HBD 2, PSA 64.93, QED 0.44
Compound (SMILES): C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1
InChIKey: KZQKEAJBBOIGDO-PGBCRKCBSA-N
Target: Muscarinic acetylcholine receptor M2 (SINGLE PROTEIN), Homo sapiens
UniProt: P08172
Assay: Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay
Measurement: EC50 = 172 nM (pChEMBL 6.760000228881836)
Descriptors: MW 499.51, ALogP 5.41, HBA 3, HBD 2, PSA 64.93, QED 0.28
Compound (SMILES): C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3ccccc3)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1
InChIKey: KOQVBYSCBCRVQJ-SVUXJTORSA-N
Target: Muscarinic acetylcholine receptor M2 (SINGLE PROTEIN), Homo sapiens
UniProt: P08172
Assay: Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay
Measurement: EC50 = 693 nM (pChEMBL 6.159999847412109)
Descriptors: MW 507.61, ALogP 6.06, HBA 3, HBD 2, PSA 64.93, QED 0.25
Compound (SMILES): CN1CCCC/C1=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2
InChIKey: CBFLRMQXLNKWDG-XUQUBCKISA-N
Target: Muscarinic acetylcholine receptor M2 (SINGLE PROTEIN), Homo sapiens
UniProt: P08172
Assay: Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay
Measurement: EC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 442.36, ALogP 3.98, HBA 3, HBD 2, PSA 64.93, QED 0.76
Compound (SMILES): O=c1[nH]c2ncn(Cc3ccccc3)c2c(=O)n1O
InChIKey: UPCWECPFBVRPRB-UHFFFAOYSA-N
Target: Poly(A)-specific ribonuclease PARN (SINGLE PROTEIN), Homo sapiens
UniProt: O95453
Assay: Inhibition of PARN (unknown origin)
Measurement: IC50 = 84100 nM (pChEMBL 4.079999923706055)
Descriptors: MW 258.24, ALogP 0.17, HBA 6, HBD 2, PSA 92.91, QED 0.64
Compound (SMILES): CN(C)CCCn1c(=O)n(O)c(=O)c2c1ncn2CCc1ccccc1
InChIKey: ITTTVNWVCMFMMP-UHFFFAOYSA-N
Target: CCR4-NOT transcription complex subunit 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UIV1
Assay: Inhibition of human poly(A)-selective ribonuclease Caf1 by fluorescence-based assay
Measurement: IC50 = 590 nM (pChEMBL 6.230000019073486)
Descriptors: MW 357.41, ALogP 0.79, HBA 8, HBD 1, PSA 85.29, QED 0.63
Compound (SMILES): CNC(=O)OCCC(C)N(C)CCc1ccccc1
InChIKey: RCAMFZAJXYGQOE-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 31622.78 nM (pChEMBL 4.5)
Descriptors: MW 264.37, ALogP 2.3, HBA 3, HBD 1, PSA 41.57, QED 0.82
Compound (SMILES): CNC(=O)OCCC(C)N(C)CCCc1ccccc1
InChIKey: SOYHHVDLCFHOGD-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 50118.72 nM (pChEMBL 4.300000190734863)
Descriptors: MW 278.4, ALogP 2.69, HBA 3, HBD 1, PSA 41.57, QED 0.79
Compound (SMILES): CN(C)C(=O)OCCC(CCCc1ccccc1)N(C)C
InChIKey: DYONOBMIBQRDPV-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 1862.09 nM (pChEMBL 5.730000019073486)
Descriptors: MW 292.42, ALogP 3.03, HBA 3, HBD 0, PSA 32.78, QED 0.74
Compound (SMILES): CN(C)C(=O)OCCC(CCCCc1ccccc1)N(C)C
InChIKey: NMEPPBFOUHRVDE-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 1096.48 nM (pChEMBL 5.960000038146973)
Descriptors: MW 306.45, ALogP 3.42, HBA 3, HBD 0, PSA 32.78, QED 0.66
Compound (SMILES): CN(C)C(=O)OCCC(CCCCCc1ccccc1)N(C)C
InChIKey: NNEJPWXAQWMXIK-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 912.01 nM (pChEMBL 6.039999961853027)
Descriptors: MW 320.48, ALogP 3.81, HBA 3, HBD 0, PSA 32.78, QED 0.61
Compound (SMILES): CN(C)C(=O)OCCC(CCC(O)c1ccccc1)N(C)C
InChIKey: UKDDGECBQDAWQV-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 31622.78 nM (pChEMBL 4.5)
Descriptors: MW 308.42, ALogP 2.52, HBA 4, HBD 1, PSA 53.01, QED 0.8
Compound (SMILES): CN(C)C(=O)OCCC(COCc1ccccc1)N(C)C
InChIKey: LQCPFWLAQSKAJV-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 31622.78 nM (pChEMBL 4.5)
Descriptors: MW 294.39, ALogP 2.22, HBA 4, HBD 0, PSA 42.01, QED 0.74
Compound (SMILES): CN(C)C(=O)OCCC(COc1nccs1)N(C)C
InChIKey: PWUDNIPBEDCJJJ-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 31622.78 nM (pChEMBL 4.5)
Descriptors: MW 287.38, ALogP 1.54, HBA 6, HBD 0, PSA 54.9, QED 0.76
Compound (SMILES): CNC(=O)OCCC(CCc1ccccc1)N(C)C
InChIKey: GZKKEWGBUYVYBW-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 264.37, ALogP 2.3, HBA 3, HBD 1, PSA 41.57, QED 0.82
Compound (SMILES): CNC(=O)OCCC(CCCc1ccccc1)N(C)C
InChIKey: ALBLPWJXHPQGKN-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 11220.18 nM (pChEMBL 4.949999809265137)
Descriptors: MW 278.4, ALogP 2.69, HBA 3, HBD 1, PSA 41.57, QED 0.79
Compound (SMILES): CNC(=O)OCCC(CCCCc1ccccc1)N(C)C
InChIKey: ACNLECJOXSDIBM-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 3548.13 nM (pChEMBL 5.449999809265137)
Descriptors: MW 292.42, ALogP 3.08, HBA 3, HBD 1, PSA 41.57, QED 0.71
Compound (SMILES): CNC(=O)OCCC(CCCCCc1ccccc1)N(C)C
InChIKey: WHVOFYINXGCBRX-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 306.45, ALogP 3.47, HBA 3, HBD 1, PSA 41.57, QED 0.67
Compound (SMILES): CN(C)C(CCCCc1ccccc1)CCOc1nccn1C
InChIKey: XKDTURNZGVJVOY-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 758.58 nM (pChEMBL 6.119999885559082)
Descriptors: MW 315.46, ALogP 3.53, HBA 4, HBD 0, PSA 30.29, QED 0.63
Compound (SMILES): Brc1ccc(N2CCCN(CCCc3ccccc3)CC2)cn1
InChIKey: WBLACFOSJFPURQ-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 831.76 nM (pChEMBL 6.079999923706055)
Descriptors: MW 374.33, ALogP 3.99, HBA 3, HBD 0, PSA 19.37, QED 0.74
Compound (SMILES): C(=C/N1CCCN(c2cccnc2)CC1)\c1ccccc1
InChIKey: FNGPCWYJKWVJJO-UKTHLTGXSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 100 nM (pChEMBL 7)
Descriptors: MW 279.39, ALogP 3.26, HBA 3, HBD 0, PSA 19.37, QED 0.86
Compound (SMILES): c1ccc(CN2CCCN(c3cccnc3)CC2)cc1
InChIKey: KZNRJQVKHPDDHZ-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 104.71 nM (pChEMBL 6.980000019073486)
Descriptors: MW 267.38, ALogP 2.79, HBA 3, HBD 0, PSA 19.37, QED 0.85
Compound (SMILES): c1ccc(CCN2CCCN(c3cccnc3)CC2)cc1
InChIKey: QVPDKBPMFZEUOG-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 104.71 nM (pChEMBL 6.980000019073486)
Descriptors: MW 281.4, ALogP 2.84, HBA 3, HBD 0, PSA 19.37, QED 0.86
Compound (SMILES): c1ccc(CCCN2CCCN(c3cccnc3)CC2)cc1
InChIKey: WNGIIBVCLYQVAL-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 81.28 nM (pChEMBL 7.090000152587891)
Descriptors: MW 295.43, ALogP 3.23, HBA 3, HBD 0, PSA 19.37, QED 0.84
Compound (SMILES): Brc1cccc(CCN2CCCN(c3cccnc3)CC2)c1
InChIKey: VINLHTQMFPOGEI-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 131.83 nM (pChEMBL 6.880000114440918)
Descriptors: MW 360.3, ALogP 3.6, HBA 3, HBD 0, PSA 19.37, QED 0.83
Compound (SMILES): c1ccc(CN2CCN(c3cccnc3)CC2)cc1
InChIKey: GHFQXANVSSWKIN-UHFFFAOYSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting assay
Measurement: Ki = 9549.93 nM (pChEMBL 5.019999980926514)
Descriptors: MW 253.35, ALogP 2.4, HBA 3, HBD 0, PSA 19.37, QED 0.84
Compound (SMILES): CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cc(-c3ccc(OC)cc3)ccc21
InChIKey: YFFFHANTAHJQKH-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 645.68, ALogP 8, HBA 6, HBD 2, PSA 102.68, QED 0.14
Compound (SMILES): CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21
InChIKey: ZPWJSAXFXPHBEO-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 645.68, ALogP 8, HBA 6, HBD 2, PSA 102.68, QED 0.14
Compound (SMILES): CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cccc(-c3ccc(OC)cc3)c21
InChIKey: OSPKGZGDFMZESW-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 2700 nM (pChEMBL 5.570000171661377)
Descriptors: MW 645.68, ALogP 8, HBA 6, HBD 2, PSA 102.68, QED 0.14
Compound (SMILES): CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cc(-c3ccc(C)cc3)ccc21
InChIKey: HDTVBAKFJLEVQU-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 629.68, ALogP 8.3, HBA 5, HBD 2, PSA 93.45, QED 0.15
Compound (SMILES): CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21
InChIKey: ZTWOYZCDZLBDLH-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 629.68, ALogP 8.3, HBA 5, HBD 2, PSA 93.45, QED 0.15
Compound (SMILES): CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cccc(-c3ccc(C)cc3)c21
InChIKey: BGEYEXXYPCZGEW-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 3800 nM (pChEMBL 5.420000076293945)
Descriptors: MW 629.68, ALogP 8.3, HBA 5, HBD 2, PSA 93.45, QED 0.15
Compound (SMILES): CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21
InChIKey: BZGPVCYWDARBEG-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 644.69, ALogP 8.61, HBA 5, HBD 2, PSA 89.79, QED 0.14
Compound (SMILES): CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21
InChIKey: MZAPCEDIBZJFHN-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 628.69, ALogP 8.91, HBA 4, HBD 2, PSA 80.56, QED 0.15
Compound (SMILES): CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIKey: DYWQSBBUSSDPPI-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 5.6 nM (pChEMBL 8.25)
Descriptors: MW 699.65, ALogP 8.89, HBA 6, HBD 2, PSA 102.68, QED 0.13
Compound (SMILES): CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC(F)(F)F)cc3)nc21
InChIKey: NXFHTHPJDOCXIS-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 699.65, ALogP 8.89, HBA 6, HBD 2, PSA 102.68, QED 0.13
Compound (SMILES): COc1ccc(OC(F)(F)F)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12
InChIKey: NQZPNOOXCXZHDZ-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 687.59, ALogP 7.99, HBA 7, HBD 2, PSA 111.91, QED 0.14
Compound (SMILES): COc1ccc(Cl)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12
InChIKey: WPEGCKBIAJARBF-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 638.04, ALogP 7.74, HBA 6, HBD 2, PSA 102.68, QED 0.16
Compound (SMILES): COc1cc(F)c(F)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12
InChIKey: MTQWTVSSOQLSBB-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 639.58, ALogP 7.37, HBA 6, HBD 2, PSA 102.68, QED 0.15
Compound (SMILES): O=S(=O)(O)O[C@@H](CO)[C@@H](O)CN1C[C@@H](O)[C@H](O)[C@H]1CO
InChIKey: GQJNTGWORHHLED-QKCLAQEOSA-N
Target: Pancreatic alpha-amylase (SINGLE PROTEIN), Sus scrofa
UniProt: P00690
Assay: Inhibition of porcine pancreatic alpha-amylase using DP17 amylose as substrate preincubated for 5 mins followed by substrate addition by copper-bicinchoninate method
Measurement: Ki < 10000000 nM (pChEMBL 2)
Descriptors: MW 317.32, ALogP -4.07, HBA 9, HBD 6, PSA 167.99, QED 0.25
Compound (SMILES): CCCc1ccc(OC)c(-c2cc(N)c(O)c(CCC)c2)c1
InChIKey: WQYFFQZUIWFUCN-UHFFFAOYSA-N
Target: GABA-A receptor; alpha-1/beta-2/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P14867
Assay: Partial agonist activity at GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as induction of chloride current by two-microelectrode voltage-clamp method
Measurement: EC50 = 62200 nM (pChEMBL 4.210000038146973)
Descriptors: MW 299.41, ALogP 4.56, HBA 3, HBD 2, PSA 55.48, QED 0.61
Compound (SMILES): CCCc1cc(NC(C)=O)c(O)c(-c2ccc(OCC)c(CCC)c2)c1
InChIKey: LFJUSHODTNRHLQ-UHFFFAOYSA-N
Target: GABA-A receptor; alpha-1/beta-2/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P14867
Assay: Partial agonist activity at GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as induction of chloride current by two-microelectrode voltage-clamp method
Measurement: EC50 = 6900 nM (pChEMBL 5.159999847412109)
Descriptors: MW 355.48, ALogP 5.32, HBA 3, HBD 2, PSA 58.56, QED 0.63
Compound (SMILES): CCCc1cc(N)c(O)c(-c2ccc(OCC)c(CCC)c2)c1
InChIKey: QNBJKNADRFPYRD-UHFFFAOYSA-N
Target: GABA-A receptor; alpha-1/beta-2/gamma-2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P14867
Assay: Partial agonist activity at GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as induction of chloride current by two-microelectrode voltage-clamp method
Measurement: EC50 = 33200 nM (pChEMBL 4.480000019073486)
Descriptors: MW 313.44, ALogP 4.95, HBA 3, HBD 2, PSA 55.48, QED 0.56
Compound (SMILES): CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIKey: JLZHAYQRDAKXFK-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 659.56, ALogP 8.24, HBA 5, HBD 2, PSA 93.45, QED 0.16
Compound (SMILES): CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)ccc2Cl)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIKey: IKLSAARRVPLBPO-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 626.01, ALogP 7.88, HBA 5, HBD 2, PSA 93.45, QED 0.16
Compound (SMILES): CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)cc(F)c2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIKey: BIXZGCLRWDRIEC-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 627.54, ALogP 7.5, HBA 5, HBD 2, PSA 93.45, QED 0.13
Compound (SMILES): CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)ccc2C(N)=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIKey: VQNHGDPPUYYRQL-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 220 nM (pChEMBL 6.659999847412109)
Descriptors: MW 651.04, ALogP 6.84, HBA 6, HBD 3, PSA 136.54, QED 0.15
Compound (SMILES): COc1ccncc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12
InChIKey: OVNIMTCUHNDIOZ-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 760 nM (pChEMBL 6.119999885559082)
Descriptors: MW 604.59, ALogP 6.49, HBA 7, HBD 2, PSA 115.57, QED 0.19
Compound (SMILES): COc1cncc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)c1
InChIKey: PTVASZSCDDSSPC-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 604.59, ALogP 6.49, HBA 7, HBD 2, PSA 115.57, QED 0.19
Compound (SMILES): COc1ccc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)cn1
InChIKey: WATGTXVHHAETQR-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 65 nM (pChEMBL 7.190000057220459)
Descriptors: MW 604.59, ALogP 6.49, HBA 7, HBD 2, PSA 115.57, QED 0.19
Compound (SMILES): COc1ncccc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12
InChIKey: AYRKJCVIDKUYMS-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 77 nM (pChEMBL 7.110000133514404)
Descriptors: MW 604.59, ALogP 6.49, HBA 7, HBD 2, PSA 115.57, QED 0.19
Compound (SMILES): CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(F)cc2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIKey: JGECKCBLHGDXHC-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 609.55, ALogP 7.36, HBA 5, HBD 2, PSA 93.45, QED 0.17
Compound (SMILES): CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(C(F)(F)F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIKey: NJHDLWUHAOCZFB-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 56 nM (pChEMBL 7.25)
Descriptors: MW 676.01, ALogP 8.75, HBA 5, HBD 2, PSA 93.45, QED 0.15
Compound (SMILES): CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(Cl)c(F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIKey: WDPNNRCZWVGLPU-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 626.01, ALogP 7.88, HBA 5, HBD 2, PSA 93.45, QED 0.16
Compound (SMILES): CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)c(F)c(F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIKey: WCHUCFBMFNEIHQ-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 627.54, ALogP 7.5, HBA 5, HBD 2, PSA 93.45, QED 0.13
Compound (SMILES): CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(C#N)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIKey: YCVPCBGWUSVMHP-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 598.58, ALogP 6.95, HBA 6, HBD 2, PSA 117.24, QED 0.19
Compound (SMILES): CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(C(=O)c2ccc(N(C)C)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIKey: UNWQPKHODAIAIW-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 644.65, ALogP 6.71, HBA 7, HBD 2, PSA 113.76, QED 0.15
Compound (SMILES): COc1nccc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)n1
InChIKey: KRGCJQVFOGAQKA-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 84 nM (pChEMBL 7.079999923706055)
Descriptors: MW 605.57, ALogP 5.88, HBA 8, HBD 2, PSA 128.46, QED 0.2
Compound (SMILES): CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21
InChIKey: XCTJTYGURHKFME-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 659.71, ALogP 8.39, HBA 6, HBD 2, PSA 102.68, QED 0.13
Compound (SMILES): CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21
InChIKey: WCVRCGUPWLUXJR-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 6.6 nM (pChEMBL 8.180000305175781)
Descriptors: MW 643.71, ALogP 8.69, HBA 5, HBD 2, PSA 93.45, QED 0.14
Compound (SMILES): CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(SC)cc3)cc21
InChIKey: XEZCMRFFTWSAPK-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 675.77, ALogP 9.1, HBA 6, HBD 2, PSA 93.45, QED 0.12
Compound (SMILES): CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccccc3)cc21
InChIKey: FPCBHNAMQSEQNL-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 629.68, ALogP 8.38, HBA 5, HBD 2, PSA 93.45, QED 0.14
Compound (SMILES): CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3Cl)cc21
InChIKey: WDPJGUOYBLRNMQ-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 694.15, ALogP 9.04, HBA 6, HBD 2, PSA 102.68, QED 0.13
Compound (SMILES): CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)c(F)c3)cc21
InChIKey: HQJYRQVEIABKOS-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 677.7, ALogP 8.53, HBA 6, HBD 2, PSA 102.68, QED 0.12
Compound (SMILES): CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21
InChIKey: YQWKQQFUAPWMJC-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 713.68, ALogP 9.28, HBA 6, HBD 2, PSA 102.68, QED 0.12
Compound (SMILES): CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C(F)(F)F)cc3)cc21
InChIKey: XFRFVGHDRBIEOP-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 697.68, ALogP 9.4, HBA 5, HBD 2, PSA 93.45, QED 0.13
Compound (SMILES): CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)nc3)cc21
InChIKey: YPIUGMFQHBZWOR-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 660.69, ALogP 7.79, HBA 7, HBD 2, PSA 115.57, QED 0.13
Compound (SMILES): CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3cc(F)cc(Cl)c3)cc21
InChIKey: IUTDUNRJDZTXNI-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 682.11, ALogP 9.17, HBA 5, HBD 2, PSA 93.45, QED 0.13
Compound (SMILES): CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)s3)cc21
InChIKey: BLNBGANNOYYDSA-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 649.74, ALogP 8.75, HBA 6, HBD 2, PSA 93.45, QED 0.14
Compound (SMILES): CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3cc(F)c(F)c(F)c3)cc21
InChIKey: LHVFEGQVEVPVKP-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 683.65, ALogP 8.8, HBA 5, HBD 2, PSA 93.45, QED 0.1
Compound (SMILES): COc1ccc(C(F)(F)F)cc1-c1nn(C(c2ccc(C(=O)NCCC(=O)O)cc2)C(C)C)c2cc(-c3ccc(C)cc3)ccc12
InChIKey: ZHSLIIBGVKUFSZ-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 69 nM (pChEMBL 7.159999847412109)
Descriptors: MW 629.68, ALogP 8.16, HBA 5, HBD 2, PSA 93.45, QED 0.16
Compound (SMILES): CCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21
InChIKey: ATGVOFHOFZKLPD-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 615.65, ALogP 7.91, HBA 5, HBD 2, PSA 93.45, QED 0.17
Compound (SMILES): COc1ccc(C(F)(F)F)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(C)cc3)ccc12
InChIKey: XIZYTDLDJKWLOW-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 7.6 nM (pChEMBL 8.119999885559082)
Descriptors: MW 601.63, ALogP 7.52, HBA 5, HBD 2, PSA 93.45, QED 0.18
Compound (SMILES): COc1ccc(C(F)(F)F)cc1-c1nn(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(C)cc3)ccc12
InChIKey: WJKISSLBQYJYPA-UHFFFAOYSA-N
Target: Glucagon receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P47871
Assay: Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 587.6, ALogP 6.96, HBA 5, HBD 2, PSA 93.45, QED 0.19
Compound (SMILES): CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C
InChIKey: NRVJGPOPUQENQZ-VGRDSOSGSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Displacement of [125I]-GLP1 from human GLP1 receptor expressed in BHK cells after 2 hrs in presence of 2% human serum albumin
Measurement: IC50 = 0.14 nM (pChEMBL 9.850000381469727)
Descriptors: MW 3383.73
Compound (SMILES): CCCCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O
InChIKey: VIZCPLHQCMRRLL-BPIHZNFNSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Displacement of [125I]-GLP1 from human GLP1 receptor expressed in BHK cells after 2 hrs in presence of 2% human serum albumin
Measurement: IC50 = 1.95 nM (pChEMBL 8.710000038146973)
Descriptors: MW 3779.32
Compound (SMILES): CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O
InChIKey: RLGFFPZBLMZOSN-UWOQHKCASA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Displacement of [125I]-GLP1 from human GLP1 receptor expressed in BHK cells after 2 hrs in presence of 2% human serum albumin
Measurement: IC50 = 0.97 nM (pChEMBL 9.010000228881836)
Descriptors: MW 4097.69
Compound (SMILES): CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)CCCCCCCCCCCCCCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C
InChIKey: GBRQTDWYCWNQNA-NXIUWWPJSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Displacement of [125I]-GLP1 from human GLP1 receptor expressed in BHK cells after 2 hrs in presence of 2% human serum albumin
Measurement: IC50 = 74 nM (pChEMBL 7.130000114440918)
Descriptors: MW 3652.13
Compound (SMILES): CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C
InChIKey: MLUJTGGIWHXRQB-WNSGYGCJSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Displacement of [125I]-GLP1 from human GLP1 receptor expressed in BHK cells after 2 hrs in presence of 2% human serum albumin
Measurement: IC50 = 295 nM (pChEMBL 6.53000020980835)
Descriptors: MW 3680.18
Compound (SMILES): CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C
InChIKey: SJCHIBCUOQCTHG-CTASUJMJSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Displacement of [125I]-GLP1 from human GLP1 receptor expressed in BHK cells after 2 hrs in presence of 2% human serum albumin
Measurement: IC50 = 148 nM (pChEMBL 6.829999923706055)
Descriptors: MW 4099.61
Compound (SMILES): CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O
InChIKey: IHBBRSIRFWELMB-VDIUTMBJSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Displacement of [125I]-GLP1 from human GLP1 receptor expressed in BHK cells after 2 hrs in presence of 2% human serum albumin
Measurement: IC50 = 3.78 nM (pChEMBL 8.420000076293945)
Descriptors: MW 4055.6
Compound (SMILES): CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C
InChIKey: LQBSSRMCYDZQLJ-WDOXRSBNSA-N
Target: Glucagon-like peptide 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P43220
Assay: Agonist activity at GLP-1R (unknown origin) expressed in HEK293 cells co-expressing CRE-Luc assessed as increase in intracellular cAMP accumulation in presence of 2% HSA by luciferase based assay
Measurement: EC50 = 0.02885 nM (pChEMBL 10.539999961853027)
Descriptors: MW 3397.76