lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C)Oc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1
InChIKey: JIDBINXGVWVFRV-KDURUIRLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 485.68, ALogP 5.19, HBA 6, HBD 2, PSA 70.67, QED 0.48
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(Br)cc2C)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: NSPTZQQIFWKTGB-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 468.42, ALogP 3.75, HBA 5, HBD 2, PSA 70.67, QED 0.7
Compound (SMILES): C[C@@H]1CN(c2cccc(NS(=O)(=O)c3cccc4ccccc34)c2)C[C@H](C)N1
InChIKey: UWHJGXUDWCFHDB-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 10 nM (pChEMBL 8)
Descriptors: MW 395.53, ALogP 3.83, HBA 4, HBD 2, PSA 61.44, QED 0.7
Compound (SMILES): COCc1cccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@@H](C)N[C@@H](C)C4)ccc3OC)cc2)c1
InChIKey: RYMDZAPOCRNHCP-BGYRXZFFSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 495.65, ALogP 4.5, HBA 6, HBD 2, PSA 79.9, QED 0.48
Compound (SMILES): C[C@@H]1CN(c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)C[C@H](C)N1
InChIKey: FQSDTYQUAIPPOG-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 395.53, ALogP 3.83, HBA 4, HBD 2, PSA 61.44, QED 0.7
Compound (SMILES): C[C@@H]1CN(c2cccc(NS(=O)(=O)c3cccc(Cl)c3Cl)c2)C[C@H](C)N1
InChIKey: SMPQHUAZQHYIMG-BETUJISGSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 414.36, ALogP 3.98, HBA 4, HBD 2, PSA 61.44, QED 0.79
Compound (SMILES): C[C@@H]1CN(c2cccc(NS(=O)(=O)c3cc4ccccc4s3)c2)C[C@H](C)N1
InChIKey: MUBPGSWJVHKKOJ-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 401.56, ALogP 3.89, HBA 5, HBD 2, PSA 61.44, QED 0.7
Compound (SMILES): C[C@@H]1CN(c2cccc(NS(=O)(=O)c3ccc(-c4cccs4)cc3)c2)C[C@H](C)N1
InChIKey: LULQURBMVALWSH-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 427.6, ALogP 4.4, HBA 5, HBD 2, PSA 61.44, QED 0.63
Compound (SMILES): C[C@@H]1CN(c2cccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)s4)cc3)c2)C[C@H](C)N1
InChIKey: SSIYYWZJHDIOEX-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 462.04, ALogP 5.06, HBA 5, HBD 2, PSA 61.44, QED 0.56
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3C)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: QRYRHUGCEBFNDU-BGYRXZFFSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 100 nM (pChEMBL 7)
Descriptors: MW 465.62, ALogP 4.66, HBA 5, HBD 2, PSA 70.67, QED 0.55
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccoc2)cc1
InChIKey: LMPUAAZKJNXUSY-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 441.55, ALogP 3.94, HBA 6, HBD 2, PSA 83.81, QED 0.6
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)s2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: WFFTWGNWSOYCAL-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 463.65, ALogP 4.47, HBA 7, HBD 2, PSA 70.67, QED 0.56
Compound (SMILES): C[C@@H]1CN(c2cccc(NS(=O)(=O)c3ccc(-n4cccn4)cc3)c2)C[C@H](C)N1
InChIKey: MICFLIXXNPGJIP-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 411.53, ALogP 2.86, HBA 6, HBD 2, PSA 79.26, QED 0.67
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(Br)c(C)c2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: IAAHOBVHBHRXHC-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 468.42, ALogP 3.75, HBA 5, HBD 2, PSA 70.67, QED 0.7
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)cc2F)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: NASSZXASAXQAFH-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 2.512 nM (pChEMBL 8.600000381469727)
Descriptors: MW 475.61, ALogP 4.55, HBA 6, HBD 2, PSA 70.67, QED 0.55
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)cc2C)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: JVCBXFDRHCRLIR-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 1 nM (pChEMBL 9)
Descriptors: MW 471.65, ALogP 4.72, HBA 6, HBD 2, PSA 70.67, QED 0.54
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: CSWBSNSTYUDGBJ-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 469.58, ALogP 4.49, HBA 5, HBD 2, PSA 70.67, QED 0.56
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3cccc(F)c3F)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: ZSLRFWMTEFNWEG-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 487.57, ALogP 4.63, HBA 5, HBD 2, PSA 70.67, QED 0.53
Compound (SMILES): C[C@@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3)c2)C[C@H](C)N1
InChIKey: OFRVLLSVQZFTGH-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 445.59, ALogP 4.54, HBA 5, HBD 2, PSA 61.44, QED 0.61
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)s1
InChIKey: CBHLJOHGEIUFNY-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 477.68, ALogP 4.78, HBA 7, HBD 2, PSA 70.67, QED 0.53
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3cc(C)cs3)s2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: CJRVRTOYJJFMCM-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 0.7943 nM (pChEMBL 9.100000381469727)
Descriptors: MW 477.68, ALogP 4.78, HBA 7, HBD 2, PSA 70.67, QED 0.53
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: XIJCISPOVMMBOD-BGYRXZFFSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 465.62, ALogP 4.66, HBA 5, HBD 2, PSA 70.67, QED 0.55
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccc2C)s1
InChIKey: DSBVRHKBWJGDTE-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 471.65, ALogP 4.72, HBA 6, HBD 2, PSA 70.67, QED 0.54
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3C)s2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: KHJFAQLFESYUEF-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 471.65, ALogP 4.72, HBA 6, HBD 2, PSA 70.67, QED 0.54
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3c(C)cccc3C)s2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: JJELPWYEJRXCFM-KDURUIRLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 485.68, ALogP 5.03, HBA 6, HBD 2, PSA 70.67, QED 0.51
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3cccc(C)c3)s2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: YVXVEUCSMYWIHO-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 3.981 nM (pChEMBL 8.399999618530273)
Descriptors: MW 471.65, ALogP 4.72, HBA 6, HBD 2, PSA 70.67, QED 0.54
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)s2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: KYMZXODRNLOUEW-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 100 nM (pChEMBL 7)
Descriptors: MW 475.61, ALogP 4.55, HBA 6, HBD 2, PSA 70.67, QED 0.55
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccc2Cl)s1
InChIKey: NZKUQLJLALMHSF-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 2.512 nM (pChEMBL 8.600000381469727)
Descriptors: MW 492.07, ALogP 5.06, HBA 6, HBD 2, PSA 70.67, QED 0.5
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(F)c2)s1
InChIKey: SMIIMFIUHIVKRZ-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 475.61, ALogP 4.55, HBA 6, HBD 2, PSA 70.67, QED 0.55
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)cc2)s1
InChIKey: PQHBRHTUHUFRPA-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 471.65, ALogP 4.72, HBA 6, HBD 2, PSA 70.67, QED 0.54
Compound (SMILES): Cc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(Br)cc1
InChIKey: NRPRDBQSPPCJFD-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 100 nM (pChEMBL 7)
Descriptors: MW 438.39, ALogP 3.74, HBA 4, HBD 2, PSA 61.44, QED 0.76
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3ccoc3)s2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: CSMCPLGPWBDTMA-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 447.58, ALogP 4, HBA 7, HBD 2, PSA 83.81, QED 0.59
Compound (SMILES): Cc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc2ccccc2c1
InChIKey: RUVHGLXFPMMCLU-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 409.56, ALogP 4.14, HBA 4, HBD 2, PSA 61.44, QED 0.68
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)s1
InChIKey: AXIMEHSTRHVITG-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 477.68, ALogP 4.78, HBA 7, HBD 2, PSA 70.67, QED 0.53
Compound (SMILES): Cc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1cccc2ccccc12
InChIKey: JIMAVXGNZWOBTM-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 409.56, ALogP 4.14, HBA 4, HBD 2, PSA 61.44, QED 0.68
Compound (SMILES): Cc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1
InChIKey: FFGNSDLRKCYDGD-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 3.981 nM (pChEMBL 8.399999618530273)
Descriptors: MW 441.62, ALogP 4.71, HBA 5, HBD 2, PSA 61.44, QED 0.6
Compound (SMILES): Cc1csc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@@H](C)N[C@@H](C)C4)ccc3C)cc2)c1
InChIKey: UENMOICGEGNZRG-KDURUIRLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 1.259 nM (pChEMBL 8.899999618530273)
Descriptors: MW 455.65, ALogP 5.02, HBA 5, HBD 2, PSA 61.44, QED 0.57
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)c(F)c2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: MSYHQGBBJUHEEA-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 475.61, ALogP 4.55, HBA 6, HBD 2, PSA 70.67, QED 0.55
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C)s3)s2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: CSODKIXQKCXHSZ-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 477.68, ALogP 4.78, HBA 7, HBD 2, PSA 70.67, QED 0.53
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)cc1C
InChIKey: YQUFUMUZKKHMOV-KDURUIRLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 0.3981 nM (pChEMBL 9.399999618530273)
Descriptors: MW 485.68, ALogP 5.03, HBA 6, HBD 2, PSA 70.67, QED 0.51
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(Cl)c2)cc1
InChIKey: QHQGCTPTNFXIAE-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 2.512 nM (pChEMBL 8.600000381469727)
Descriptors: MW 486.04, ALogP 5, HBA 5, HBD 2, PSA 70.67, QED 0.51
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)cc1F
InChIKey: JEQUVGKFJTVMBC-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 0.5012 nM (pChEMBL 9.300000190734863)
Descriptors: MW 489.64, ALogP 4.86, HBA 6, HBD 2, PSA 70.67, QED 0.52
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1F
InChIKey: QHSMGCROJHCGDN-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 459.54, ALogP 4.08, HBA 6, HBD 2, PSA 83.81, QED 0.58
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1cccc2cccc(Cl)c12
InChIKey: QHCJNMSTDWRSBJ-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 10 nM (pChEMBL 8)
Descriptors: MW 460, ALogP 4.49, HBA 5, HBD 2, PSA 70.67, QED 0.59
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3cc(C)cs3)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: HFPNDCLXDZRCFQ-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 1.259 nM (pChEMBL 8.899999618530273)
Descriptors: MW 471.65, ALogP 4.72, HBA 6, HBD 2, PSA 70.67, QED 0.54
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3ccoc3)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: LFXPKQFKTTWJRU-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 441.55, ALogP 3.94, HBA 6, HBD 2, PSA 83.81, QED 0.6
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1
InChIKey: IAKOIFCIFMVQKB-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 100 nM (pChEMBL 7)
Descriptors: MW 487.57, ALogP 4.63, HBA 5, HBD 2, PSA 70.67, QED 0.53
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccc2F)cc1
InChIKey: OOLAVGMIXPJRLE-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 469.58, ALogP 4.49, HBA 5, HBD 2, PSA 70.67, QED 0.56
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(F)c2F)cc1
InChIKey: JHZYWUIFYPCWIC-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 487.57, ALogP 4.63, HBA 5, HBD 2, PSA 70.67, QED 0.53
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)cc1F
InChIKey: ZBWLGBFJQSSFPB-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 484.6, ALogP 4.19, HBA 6, HBD 2, PSA 83.56, QED 0.55
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)c(F)c1
InChIKey: XQEBMXWTPBDBJW-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 484.6, ALogP 4.19, HBA 6, HBD 2, PSA 83.56, QED 0.55
Compound (SMILES): C[C@@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)C[C@H](C)N1
InChIKey: YTSUDLFGECPJJJ-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 439.56, ALogP 4.48, HBA 4, HBD 2, PSA 61.44, QED 0.62
Compound (SMILES): C[C@@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3F)c2)C[C@H](C)N1
InChIKey: GOWHJDTUNRCBPU-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 463.58, ALogP 4.68, HBA 5, HBD 2, PSA 61.44, QED 0.58
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1C
InChIKey: GOHZKSOCLHUXSS-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 455.58, ALogP 4.25, HBA 6, HBD 2, PSA 83.81, QED 0.58
Compound (SMILES): C[C@@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3Cl)c2)C[C@H](C)N1
InChIKey: HDRNNUDRMHCIFK-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 480.03, ALogP 5.2, HBA 5, HBD 2, PSA 61.44, QED 0.53
Compound (SMILES): Cc1cc(-c2cccs2)ccc1S(=O)(=O)Nc1cc(N2C[C@@H](C)N[C@@H](C)C2)ccc1F
InChIKey: JLZSTUQMPAMIRV-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 459.61, ALogP 4.85, HBA 5, HBD 2, PSA 61.44, QED 0.57
Compound (SMILES): C[C@@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)c(F)c3)c2)C[C@H](C)N1
InChIKey: JBDXYNBGDXZCPG-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 10 nM (pChEMBL 8)
Descriptors: MW 463.58, ALogP 4.68, HBA 5, HBD 2, PSA 61.44, QED 0.58
Compound (SMILES): C[C@@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccoc4)cc3)c2)C[C@H](C)N1
InChIKey: HQGPLYTYMNVOCI-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 429.52, ALogP 4.07, HBA 5, HBD 2, PSA 74.58, QED 0.64
Compound (SMILES): Cc1cc(-c2ccoc2)ccc1S(=O)(=O)Nc1cc(N2C[C@@H](C)N[C@@H](C)C2)ccc1F
InChIKey: MDIMTUAIQYXVLD-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 443.54, ALogP 4.38, HBA 5, HBD 2, PSA 74.58, QED 0.61
Compound (SMILES): C[C@@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccoc4)c(F)c3)c2)C[C@H](C)N1
InChIKey: XVHDMEOZCDZIEC-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 447.51, ALogP 4.21, HBA 5, HBD 2, PSA 74.58, QED 0.61
Compound (SMILES): C[C@@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccoc4)cc3Cl)c2)C[C@H](C)N1
InChIKey: PXLVKZBSSXMOHS-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 463.96, ALogP 4.73, HBA 5, HBD 2, PSA 74.58, QED 0.57
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)cc1C
InChIKey: GIBQUKBMIUQJHU-BGYRXZFFSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 480.63, ALogP 4.36, HBA 6, HBD 2, PSA 83.56, QED 0.55
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1cc(C)c(-c2ccccc2F)s1
InChIKey: HKMSYBWYEFFOBE-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 489.64, ALogP 4.86, HBA 6, HBD 2, PSA 70.67, QED 0.52
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1cc(C)c(-c2cccc(C)n2)s1
InChIKey: VUCLBDACTSWHSX-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 486.66, ALogP 4.42, HBA 7, HBD 2, PSA 83.56, QED 0.54
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csnn2)s1
InChIKey: VNQJSIKXESWZHX-BETUJISGSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 465.63, ALogP 3.26, HBA 9, HBD 2, PSA 96.45, QED 0.58
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2
InChIKey: AXCLMWWQFJTKNU-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 459.61, ALogP 3.79, HBA 6, HBD 2, PSA 79.9, QED 0.71
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)c(C)c1
InChIKey: XWQBIIBZDYCUQS-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 471.65, ALogP 4.72, HBA 6, HBD 2, PSA 70.67, QED 0.54
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc2c(c1)OCCN2C
InChIKey: ZRUNANSKDLPRLV-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 446.57, ALogP 2.51, HBA 7, HBD 2, PSA 83.14, QED 0.73
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)cc1C
InChIKey: GGIMLURHCSIDGB-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 471.65, ALogP 4.72, HBA 6, HBD 2, PSA 70.67, QED 0.54
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)n2)s1
InChIKey: VNGJFPNMRLFFNE-OKILXGFUSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 478.67, ALogP 4.18, HBA 8, HBD 2, PSA 83.56, QED 0.55
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2nccs2)cc1
InChIKey: XCCYLCSWJYJXNF-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 458.61, ALogP 3.81, HBA 7, HBD 2, PSA 83.56, QED 0.58
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)cc1F
InChIKey: SBEBXIWVGHBOSL-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 3.981 nM (pChEMBL 8.399999618530273)
Descriptors: MW 489.64, ALogP 4.86, HBA 6, HBD 2, PSA 70.67, QED 0.52
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)cc1Cl
InChIKey: FIHDNSOPSJBKPN-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 492.07, ALogP 5.06, HBA 6, HBD 2, PSA 70.67, QED 0.5
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2ccoc2)c1
InChIKey: GUCWNJQLJVDBPH-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 441.55, ALogP 3.94, HBA 6, HBD 2, PSA 83.81, QED 0.6
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2cc(C)cs2)c1
InChIKey: WTWORMZCNKQCHR-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 471.65, ALogP 4.72, HBA 6, HBD 2, PSA 70.67, QED 0.54
Compound (SMILES): COc1cc(Br)ccc1S(=O)(=O)Nc1cc(N2C[C@@H](C)N[C@@H](C)C2)ccc1F
InChIKey: AWMCTNJQOUASMF-BETUJISGSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 100 nM (pChEMBL 7)
Descriptors: MW 472.38, ALogP 3.58, HBA 5, HBD 2, PSA 70.67, QED 0.7
Compound (SMILES): Cc1cc(S(=O)(=O)Nc2cc(N3C[C@@H](C)N[C@@H](C)C3)ccc2F)ccc1Br
InChIKey: IRSQPFAZQUSHKP-OKILXGFUSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 456.38, ALogP 3.88, HBA 4, HBD 2, PSA 61.44, QED 0.73
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccn2C)cc1
InChIKey: TYMLKCOVDOEWSD-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 454.6, ALogP 3.69, HBA 6, HBD 2, PSA 75.6, QED 0.59
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)c(C)c1
InChIKey: MVYDTIQSKDNSOH-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 485.68, ALogP 5.03, HBA 6, HBD 2, PSA 70.67, QED 0.51
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cnccn2)cc1
InChIKey: UEPQTZLRTZUEAZ-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 453.57, ALogP 3.14, HBA 7, HBD 2, PSA 96.45, QED 0.59
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cc1Cl
InChIKey: IVITYWXJLJXMDX-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 0.3162 nM (pChEMBL 9.5)
Descriptors: MW 490.03, ALogP 4.9, HBA 6, HBD 2, PSA 83.81, QED 0.51
Compound (SMILES): COc1cc(-c2cc(C)cs2)ccc1S(=O)(=O)Nc1cccc(N2C[C@@H](C)N[C@@H](C)C2)c1
InChIKey: DXDSMBOMKOIFNX-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 471.65, ALogP 4.72, HBA 6, HBD 2, PSA 70.67, QED 0.54
Compound (SMILES): COc1cc(-c2ccco2)ccc1S(=O)(=O)Nc1cccc(N2C[C@@H](C)N[C@@H](C)C2)c1
InChIKey: CKZDKCNWEMQSQN-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 441.55, ALogP 3.94, HBA 6, HBD 2, PSA 83.81, QED 0.6
Compound (SMILES): COc1cc(-c2cccs2)ccc1S(=O)(=O)Nc1cccc(N2C[C@@H](C)N[C@@H](C)C2)c1
InChIKey: ZOAKPVRKIMWUNU-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 457.62, ALogP 4.41, HBA 6, HBD 2, PSA 70.67, QED 0.57
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1Cl
InChIKey: NPZAEIIEOYWQLE-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 0.5012 nM (pChEMBL 9.300000190734863)
Descriptors: MW 476, ALogP 4.6, HBA 6, HBD 2, PSA 83.81, QED 0.54
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)c(F)c1
InChIKey: CKSTTXYXMSSFIV-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 3.981 nM (pChEMBL 8.399999618530273)
Descriptors: MW 489.64, ALogP 4.86, HBA 6, HBD 2, PSA 70.67, QED 0.52
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)nc1
InChIKey: MXLMOGNTOCMUNX-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 442.54, ALogP 3.34, HBA 7, HBD 2, PSA 96.7, QED 0.6
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)nc1
InChIKey: RNCGEMFJFSGYBL-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 458.61, ALogP 3.81, HBA 7, HBD 2, PSA 83.56, QED 0.58
Compound (SMILES): C[C@@H]1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(-c4ccco4)cc3)c2)C[C@H](C)N1
InChIKey: BVQRZGCAOVETMW-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 445.97, ALogP 4.59, HBA 5, HBD 2, PSA 74.58, QED 0.6
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1cc(F)c(-c2ccco2)cc1F
InChIKey: XPHQXUNKBDGGEC-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 477.53, ALogP 4.22, HBA 6, HBD 2, PSA 83.81, QED 0.55
Compound (SMILES): C[C@@H]1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(-c4ccccc4F)s3)c2)C[C@H](C)N1
InChIKey: CQNWQWPZXYWARJ-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 10 nM (pChEMBL 8)
Descriptors: MW 480.03, ALogP 5.2, HBA 5, HBD 2, PSA 61.44, QED 0.53
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)nc1
InChIKey: XBUQTSMLWBMOLA-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 456.57, ALogP 3.65, HBA 7, HBD 2, PSA 96.7, QED 0.58
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)nc1
InChIKey: UANWMLWPUGCRPQ-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 10 nM (pChEMBL 8)
Descriptors: MW 472.64, ALogP 4.11, HBA 7, HBD 2, PSA 83.56, QED 0.56
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)c2)c(F)c1
InChIKey: MOCBYCDTKLLAID-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 489.64, ALogP 4.86, HBA 6, HBD 2, PSA 70.67, QED 0.52
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)c2)cc1F
InChIKey: ZUFXCYHDZSDIDZ-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 2.512 nM (pChEMBL 8.600000381469727)
Descriptors: MW 489.64, ALogP 4.86, HBA 6, HBD 2, PSA 70.67, QED 0.52
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)c2)cc1
InChIKey: CBERZDKZIZGNMF-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 3.981 nM (pChEMBL 8.399999618530273)
Descriptors: MW 471.65, ALogP 4.72, HBA 6, HBD 2, PSA 70.67, QED 0.54
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ncccn2)cc1
InChIKey: PRBOKTWMOPONGJ-CALCHBBNSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 453.57, ALogP 3.14, HBA 7, HBD 2, PSA 96.45, QED 0.59
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(Cl)c2ccccc12
InChIKey: JIRIZEHRAWNNOA-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 460, ALogP 4.49, HBA 5, HBD 2, PSA 70.67, QED 0.59
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cn1
InChIKey: SFTJLCAWCLWRGW-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 456.57, ALogP 3.65, HBA 7, HBD 2, PSA 96.7, QED 0.58
Compound (SMILES): COc1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1
InChIKey: JIHFINWTNQERAK-HDICACEKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 471.65, ALogP 4.75, HBA 6, HBD 1, PSA 61.88, QED 0.56
Compound (SMILES): Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@@H](C)N[C@@H](C)C4)ccc3O)cc2)o1
InChIKey: YNAXIFRPLPDIKY-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 441.55, ALogP 3.95, HBA 6, HBD 3, PSA 94.81, QED 0.52
Compound (SMILES): C[C@@H]1CN(c2ccc(O)c(NS(=O)(=O)c3ccc(-c4ccco4)cc3)c2)C[C@H](C)N1
InChIKey: XYJWSPFUZBDETK-IYBDPMFKSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 427.53, ALogP 3.64, HBA 6, HBD 3, PSA 94.81, QED 0.54
Compound (SMILES): COc1ccc(N2CCN[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1
InChIKey: VDPOPYFAETYXQK-INIZCTEOSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 443.59, ALogP 4.02, HBA 6, HBD 2, PSA 70.67, QED 0.6
Compound (SMILES): COc1ccc(N2CCN[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1
InChIKey: VDPOPYFAETYXQK-MRXNPFEDSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 443.59, ALogP 4.02, HBA 6, HBD 2, PSA 70.67, QED 0.6
Compound (SMILES): Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@@H](C)N[C@@H](C)C4)ccc3O)cc2F)o1
InChIKey: STMRKIPTXLNCSV-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 459.54, ALogP 4.09, HBA 6, HBD 3, PSA 94.81, QED 0.5
Compound (SMILES): C[C@@H]1CN(c2ccc(O)c(NS(=O)(=O)c3ccc(-c4ccccc4F)s3)c2)C[C@H](C)N1
InChIKey: HNIANGNRYQXBBM-GASCZTMLSA-N
Target: Growth hormone secretagogue receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92847
Assay: SUPPLEMENTARY: Agonist activity at GSHR by FLIPR assay. Same assay as CHEMBL941945
Measurement: EC50 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 461.58, ALogP 4.25, HBA 6, HBD 3, PSA 81.67, QED 0.5
Compound (SMILES): COC(=O)[C@]1(c2ccccc2)C[C@@H]1CN1CC[C@@]2(C)c3cc(O)ccc3CC1[C@@H]2C
InChIKey: ZQZLNUMNWMAXIZ-KTOYNHEESA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P41144
Assay: Inhibition of [3H]diprenorphine binding to Opioid receptor kappa 1 in guinea pig cerebellar fraction
Measurement: Ki = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 405.54, ALogP 4.05, HBA 4, HBD 1, PSA 49.77, QED 0.78
Compound (SMILES): O=S(=O)([O-])c1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1.[Na+]
InChIKey: JYEFPEJJPNYEHO-KHXPSBENSA-M
Target: Adenosine receptor A1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P25099
Assay: Affinity for adenosine A1 receptor at rat cortical receptors using 1 nM [3H]PIA
Measurement: Ki = 74 nM (pChEMBL 7.130000114440918)
Descriptors: MW 423.41, ALogP -0.57, HBA 11, HBD 5, PSA 179.92, QED 0.33
Compound (SMILES): CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H]([C@H](C)c2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
InChIKey: MCTYNMAXUZDSBU-DJPPPKSRSA-N
Target: Melanocyte-stimulating hormone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q01726
Assay: Effective concentration for the effect of Melanocortin 1 receptor in the frog skin.
Measurement: EC50 = 28.6 nM (pChEMBL 7.539999961853027)
Descriptors: MW 1038.22
Compound (SMILES): CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C21.[NaH]
InChIKey: AXIWWVAZHLQXEZ-ITOLBHMWSA-N
Target: 3-hydroxy-3-methylglutaryl-coenzyme A reductase (SINGLE PROTEIN), Rattus norvegicus
UniProt: P51639
Assay: Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.0073-0.017
Measurement: IC50 = 9.2 nM (pChEMBL 8.039999961853027)
Descriptors: MW 404.55, ALogP 4.2, HBA 5, HBD 1, PSA 72.83, QED 0.67
Compound (SMILES): CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H]([C@@H](C)c2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
InChIKey: MCTYNMAXUZDSBU-FWJGWMRVSA-N
Target: Melanocyte-stimulating hormone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q01726
Assay: Effective concentration for the effect of Melanocortin 1 receptor in the frog skin.
Measurement: EC50 = 0.44 nM (pChEMBL 9.359999656677246)
Descriptors: MW 1038.22
Compound (SMILES): NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey: HLGLOFWWPYOSAE-SSNHPIBPSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P33535
Assay: Binding affinity towards Opioid receptor mu 1 on rat forebrain membranes by [3H]sufentanil displacement.
Measurement: Ki = 658 nM (pChEMBL 6.179999828338623)
Descriptors: MW 633.75, ALogP 2.16, HBA 6, HBD 5, PSA 167.85, QED 0.16