lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4cccc(F)c4)CC3)cc2)CCN1
InChIKey: PMPMXKFVIUFUSI-FQEVSTJZSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 438.59, ALogP 3.49, HBA 4, HBD 1, PSA 38.82, QED 0.75
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccccc4F)nc3)cc2)CCN1
InChIKey: NKDNKOLGYYCQLE-SFHVURJKSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 418.52, ALogP 3.96, HBA 4, HBD 1, PSA 48.47, QED 0.68
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)nc3)cc2)CCN1
InChIKey: LJILBBSOWPHEIX-SFHVURJKSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 1.259 nM (pChEMBL 8.899999618530273)
Descriptors: MW 418.52, ALogP 3.96, HBA 4, HBD 1, PSA 48.47, QED 0.68
Compound (SMILES): Cc1nc(-c2cccc(F)c2)ccc1C(=O)N(C)c1ccc(CN2CCN[C@@H](C)C2)cc1
InChIKey: HLDDGEFVROITRB-SFHVURJKSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 0.631 nM (pChEMBL 9.199999809265137)
Descriptors: MW 432.54, ALogP 4.27, HBA 4, HBD 1, PSA 48.47, QED 0.65
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(F)c4)cc3)cc2)CCN1
InChIKey: ZTLGBFMVWFPEQP-IBGZPJMESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 2.512 nM (pChEMBL 8.600000381469727)
Descriptors: MW 433.53, ALogP 4.69, HBA 4, HBD 1, PSA 44.81, QED 0.61
Compound (SMILES): Cc1nc(-c2cccc(C#N)c2)ccc1C(=O)N(C)c1ccc(CN2CCN[C@@H](C)C2)cc1
InChIKey: MPPIDYUQROLZOS-IBGZPJMESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 439.56, ALogP 4, HBA 5, HBD 1, PSA 72.26, QED 0.65
Compound (SMILES): Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N(C)c1ccc(CN2C[C@@H](C)N[C@@H](C)C2)cc1
InChIKey: CNZSGVDMFCIGCV-KDURUIRLSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 0.3981 nM (pChEMBL 9.399999618530273)
Descriptors: MW 446.57, ALogP 4.65, HBA 4, HBD 1, PSA 48.47, QED 0.62
Compound (SMILES): C[C@@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)C[C@H](C)N1
InChIKey: PMWRLBPISUWANW-KDURUIRLSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 432.54, ALogP 4.35, HBA 4, HBD 1, PSA 48.47, QED 0.65
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccccc4F)cc3)cc2)CCN1
InChIKey: OEIJHSGHMAABOQ-IBGZPJMESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 433.53, ALogP 4.69, HBA 4, HBD 1, PSA 44.81, QED 0.61
Compound (SMILES): Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N(C)c1ccc(CN2CCN[C@@H](C)C2)cc1
InChIKey: IBUDXZWGNZFJIV-KRWDZBQOSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 433.53, ALogP 3.66, HBA 5, HBD 1, PSA 61.36, QED 0.67
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3cnc(-c4ccc(F)cc4)nc3)cc2)CCN1
InChIKey: IEIZSNCEZBWELX-KRWDZBQOSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 419.5, ALogP 3.35, HBA 5, HBD 1, PSA 61.36, QED 0.69
Compound (SMILES): C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2Cl)CCN1
InChIKey: HOTLFLYDODUURG-SFHVURJKSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 459.01, ALogP 3.92, HBA 4, HBD 2, PSA 47.61, QED 0.69
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccccc4F)nc3)cc2)CCN1
InChIKey: RJRYZPIGOPRYLH-SFHVURJKSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 434.52, ALogP 4.08, HBA 5, HBD 1, PSA 57.7, QED 0.63
Compound (SMILES): Cc1cc(N(C)C(=O)c2ccc(-c3cccc(F)c3)nc2)ccc1CN1CCN[C@@H](C)C1
InChIKey: JESBSMVIVFXZDB-IBGZPJMESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 0.2512 nM (pChEMBL 9.600000381469727)
Descriptors: MW 432.54, ALogP 4.27, HBA 4, HBD 1, PSA 48.47, QED 0.65
Compound (SMILES): C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(N4CCCCC4)nc3)cc2)CCN1
InChIKey: LRFZHQJZDRLBGA-SFHVURJKSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 100 nM (pChEMBL 7)
Descriptors: MW 429.59, ALogP 2.67, HBA 6, HBD 2, PSA 77.57, QED 0.74
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(C#N)c4)nc3)cc2)CCN1
InChIKey: ZBPMZOIKLPDAOG-IBGZPJMESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 425.54, ALogP 3.69, HBA 5, HBD 1, PSA 72.26, QED 0.68
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(C#N)c4)nc3)cc2)CCN1
InChIKey: AXQJLQNNUVSSQV-IBGZPJMESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 441.54, ALogP 3.82, HBA 6, HBD 1, PSA 81.49, QED 0.63
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)nc3)c(F)c2)CCN1
InChIKey: BONCPJJHOMEUCG-KRWDZBQOSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 436.51, ALogP 4.1, HBA 4, HBD 1, PSA 48.47, QED 0.65
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(F)c4)cn3)cc2)CCN1
InChIKey: XFAYDJIOOIGXBI-SFHVURJKSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 1 nM (pChEMBL 9)
Descriptors: MW 434.52, ALogP 4.08, HBA 5, HBD 1, PSA 57.7, QED 0.63
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)c(F)c2)CCN1
InChIKey: DCXOEBJIPJYRGE-KRWDZBQOSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 452.51, ALogP 4.22, HBA 5, HBD 1, PSA 57.7, QED 0.61
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(C#N)c4)cn3)cc2)CCN1
InChIKey: CKDDOFUURUVUPS-IBGZPJMESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 441.54, ALogP 3.82, HBA 6, HBD 1, PSA 81.49, QED 0.63
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)CCN1
InChIKey: JWVLOVCLYNMIKB-FQEVSTJZSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 438.59, ALogP 3.49, HBA 4, HBD 1, PSA 38.82, QED 0.75
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)nc3)cc2F)CCN1
InChIKey: STJPOHAQXFNGCR-KRWDZBQOSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 1.259 nM (pChEMBL 8.899999618530273)
Descriptors: MW 436.51, ALogP 4.1, HBA 4, HBD 1, PSA 48.47, QED 0.65
Compound (SMILES): CCN(C(=O)c1ccc(-c2cccc(F)c2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1
InChIKey: QDBLGFSHYAVWCO-IBGZPJMESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 0.7943 nM (pChEMBL 9.100000381469727)
Descriptors: MW 432.54, ALogP 4.35, HBA 4, HBD 1, PSA 48.47, QED 0.63
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)nc2)CCN1
InChIKey: NDSYXEHBPYYHQW-KRWDZBQOSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 435.5, ALogP 3.48, HBA 6, HBD 1, PSA 70.59, QED 0.64
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4cccc(C#N)c4)CC3)cc2)CCN1
InChIKey: NQKNKSWBDHNBHT-NRFANRHFSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 445.61, ALogP 3.23, HBA 5, HBD 1, PSA 62.61, QED 0.74
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4ccc(C#N)cc4)CC3)cc2)CCN1
InChIKey: DEGFRWDZKYNNIP-NRFANRHFSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 445.61, ALogP 3.23, HBA 5, HBD 1, PSA 62.61, QED 0.74
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)cn3)cc2)CCN1
InChIKey: RASAAUKCNPAJQJ-SFHVURJKSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 418.52, ALogP 3.96, HBA 4, HBD 1, PSA 48.47, QED 0.68
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)cn3)cc2)CCN1
InChIKey: MAIRELIWEBXPMN-SFHVURJKSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 418.52, ALogP 3.96, HBA 4, HBD 1, PSA 48.47, QED 0.68
Compound (SMILES): CC(C)N(C(=O)c1ccc(-c2cccc(F)c2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1
InChIKey: UIUXAOAOXMNEQW-FQEVSTJZSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 446.57, ALogP 4.74, HBA 4, HBD 1, PSA 48.47, QED 0.59
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(C#N)c4)cn3)cc2)CCN1
InChIKey: CTMMIKSYUJHCDV-IBGZPJMESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 425.54, ALogP 3.69, HBA 5, HBD 1, PSA 72.26, QED 0.68
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(C(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2)CCN1
InChIKey: ZTEGNLCQVKPVQP-IBGZPJMESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 495.55, ALogP 5.01, HBA 4, HBD 1, PSA 52.65, QED 0.49
Compound (SMILES): COc1cccc(-c2ccc(C(=O)N(C)c3ccc(CN4CCN[C@@H](C)C4)cc3)nc2)c1
InChIKey: OYTPGCLNCDKBGA-IBGZPJMESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 430.55, ALogP 3.83, HBA 5, HBD 1, PSA 57.7, QED 0.64
Compound (SMILES): Cc1cc(N(C)C(=O)c2ccc(Oc3ccc(F)cc3)nc2)ccc1CN1CCN[C@@H](C)C1
InChIKey: JSIULHPWUVKMFG-IBGZPJMESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 0.2512 nM (pChEMBL 9.600000381469727)
Descriptors: MW 448.54, ALogP 4.39, HBA 5, HBD 1, PSA 57.7, QED 0.61
Compound (SMILES): COCCN(C(=O)c1ccc(-c2cccc(F)c2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1
InChIKey: XGSXSNHFZRMBKK-FQEVSTJZSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 462.57, ALogP 3.97, HBA 5, HBD 1, PSA 57.7, QED 0.55
Compound (SMILES): C[C@@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)C[C@H](C)N1
InChIKey: ZQBIGVHINKFVGV-HDICACEKSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 454.57, ALogP 3.87, HBA 5, HBD 2, PSA 74.33, QED 0.59
Compound (SMILES): Cc1cc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)nc2)ccc1CN1CCN[C@@H](C)C1
InChIKey: KONOODNIXTZVKZ-SFHVURJKSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 454.57, ALogP 3.79, HBA 5, HBD 2, PSA 74.33, QED 0.59
Compound (SMILES): COCCN(C(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1
InChIKey: PCQYYIDMNZIVBC-FQEVSTJZSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 478.57, ALogP 4.1, HBA 6, HBD 1, PSA 66.93, QED 0.5
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4ccc(F)cc4)nc3)cc2Cl)CCN1
InChIKey: FXBMHOHXPVPWSS-KRWDZBQOSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 0.3162 nM (pChEMBL 9.5)
Descriptors: MW 468.96, ALogP 4.74, HBA 5, HBD 1, PSA 57.7, QED 0.57
Compound (SMILES): CCN(C(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1
InChIKey: SDPQSLSZEYNULK-IBGZPJMESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 0.3981 nM (pChEMBL 9.399999618530273)
Descriptors: MW 448.54, ALogP 4.47, HBA 5, HBD 1, PSA 57.7, QED 0.58
Compound (SMILES): C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(N4CCC(F)CC4)nc3)cc2)CCN1
InChIKey: NYQIBDUGUASXTF-SFHVURJKSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 425.55, ALogP 3.09, HBA 5, HBD 1, PSA 51.71, QED 0.8
Compound (SMILES): C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2C(F)(F)F)CCN1
InChIKey: IHSRDRQVXGIMBU-INIZCTEOSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 508.54, ALogP 4.5, HBA 5, HBD 2, PSA 74.33, QED 0.48
Compound (SMILES): Cc1cc(N(C)C(=O)c2ccc(Oc3ccc(F)cc3)nc2)ncc1CN1CCN[C@@H](C)C1
InChIKey: FBILDSAANWEWAK-SFHVURJKSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 449.53, ALogP 3.79, HBA 6, HBD 1, PSA 70.59, QED 0.62
Compound (SMILES): Cc1cc(NS(=O)(=O)c2cncc(-c3ccc(F)cc3)c2)ccc1CN1CCN[C@@H](C)C1
InChIKey: CWYHDSYRMLUONB-SFHVURJKSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 454.57, ALogP 3.79, HBA 5, HBD 2, PSA 74.33, QED 0.59
Compound (SMILES): C[C@@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Nc4ccc(F)cc4)CC3)n2)C[C@H](C)N1
InChIKey: ZXDWWMPOFRIRIO-BGYRXZFFSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 463.61, ALogP 3.67, HBA 7, HBD 2, PSA 61.25, QED 0.58
Compound (SMILES): C[C@@H]1CN(Cc2ccc(-c3cccnc3N3CCC(Nc4ccc(F)cc4)CC3)s2)C[C@H](C)N1
InChIKey: PXHGUNWOKOBEKV-BGYRXZFFSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 479.67, ALogP 5.21, HBA 6, HBD 2, PSA 43.43, QED 0.51
Compound (SMILES): C[C@@H]1CN(Cc2ccc(-c3cccnc3S(=O)(=O)N3CCC(Nc4ccccc4F)CC3)cc2F)C[C@H](C)N1
InChIKey: ZEHHXSJALXOZOS-OYRHEFFESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 555.7, ALogP 4.47, HBA 6, HBD 2, PSA 77.57, QED 0.45
Compound (SMILES): C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)CCN1
InChIKey: TXWLNVBMNWSDCA-NRFANRHFSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 1 nM (pChEMBL 9)
Descriptors: MW 487.62, ALogP 4.4, HBA 5, HBD 2, PSA 60.5, QED 0.54
Compound (SMILES): C[C@@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4ccccc4F)CC3)n2)C[C@H](C)N1
InChIKey: UTYHBMHIEFMPCP-BGYRXZFFSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 464.59, ALogP 3.64, HBA 7, HBD 1, PSA 58.45, QED 0.6
Compound (SMILES): C[C@@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4cccc(F)c4)CC3)n2)C[C@H](C)N1
InChIKey: NOTFFCKUUDKZHY-BGYRXZFFSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 2.512 nM (pChEMBL 8.600000381469727)
Descriptors: MW 464.59, ALogP 3.64, HBA 7, HBD 1, PSA 58.45, QED 0.6
Compound (SMILES): C[C@@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4ccc(F)cc4)CC3)n2)C[C@H](C)N1
InChIKey: RYVDHQJKSJOJSK-BGYRXZFFSA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 1.259 nM (pChEMBL 8.899999618530273)
Descriptors: MW 464.59, ALogP 3.64, HBA 7, HBD 1, PSA 58.45, QED 0.6
Compound (SMILES): C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4cccc(F)c4)CC3)n2)CCN1
InChIKey: PQHGQOVMIUJIQT-IBGZPJMESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 0.7943 nM (pChEMBL 9.100000381469727)
Descriptors: MW 450.56, ALogP 3.25, HBA 7, HBD 1, PSA 58.45, QED 0.62
Compound (SMILES): C[C@@H]1CN(Cc2ccc(CCC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@H](C)N1
InChIKey: PIXCOIZPWWREKH-OYRHEFFESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 452.62, ALogP 4.04, HBA 4, HBD 2, PSA 47.61, QED 0.67
Compound (SMILES): CC(C(=O)N1CCC(Nc2cccc(F)c2)CC1)c1ccc(CN2C[C@@H](C)N[C@@H](C)C2)cc1
InChIKey: HQMIOCCKYFLZIK-WCRBZPEASA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 452.62, ALogP 4.21, HBA 4, HBD 2, PSA 47.61, QED 0.69
Compound (SMILES): C[C@@H]1CN(Cc2ccc(C(C)(C)C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@H](C)N1
InChIKey: JDOLWIHTMQMIEA-OYRHEFFESA-N
Target: Motilin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: O43193
Assay: SUPPLEMENTARY: Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay. Same assay as CHEMBL942680
Measurement: EC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 466.65, ALogP 4.39, HBA 4, HBD 2, PSA 47.61, QED 0.66
Compound (SMILES): Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(N4C[C@@H](C)N[C@@H](C)C4)n3)cc2F)o1
InChIKey: ZWBDIKJEEUXNJX-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 nM (pChEMBL 9)
Descriptors: MW 444.53, ALogP 3.78, HBA 6, HBD 2, PSA 87.47, QED 0.62
Compound (SMILES): Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccnc(N4C[C@@H](C)N[C@@H](C)C4)n3)cc2F)o1
InChIKey: XPVALBXVQVNPIO-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 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 445.52, ALogP 3.17, HBA 7, HBD 2, PSA 100.36, QED 0.62
Compound (SMILES): Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@@H](C)N[C@@H](C)C4)ccn3)cc2F)o1
InChIKey: NZUWRCHKMOKSOE-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 444.53, ALogP 3.78, HBA 6, HBD 2, PSA 87.47, QED 0.62
Compound (SMILES): COc1ncc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1
InChIKey: VVYOVQROSSWNMM-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 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 474.56, ALogP 3.79, HBA 7, HBD 2, PSA 96.7, QED 0.56
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)nc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)cc1Cl
InChIKey: SHGYFAFEPJKJQN-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 507.08, ALogP 4.77, HBA 7, HBD 2, PSA 83.56, QED 0.5
Compound (SMILES): Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@@H](C)N[C@@H](C)C4)c[nH]c3=O)cc2F)o1
InChIKey: NGLHGQXWJRSLED-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 = 10 nM (pChEMBL 8)
Descriptors: MW 460.53, ALogP 3.07, HBA 6, HBD 3, PSA 107.44, QED 0.54
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)nc1NS(=O)(=O)c1ccc(-c2ccoc2)cc1Cl
InChIKey: GOCUVVZJUYKPIO-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 476.99, ALogP 3.99, HBA 7, HBD 2, PSA 96.7, QED 0.55
Compound (SMILES): COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: YYOPPUAMJVYCGY-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 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 480.06, ALogP 4.86, HBA 6, HBD 2, PSA 70.67, QED 0.55
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: XERDZSIOPFVUQP-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 425.55, ALogP 3.84, HBA 5, HBD 2, PSA 70.67, QED 0.65
Compound (SMILES): COc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: LRTHWRHTNQGKLL-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 425.55, ALogP 3.84, HBA 5, HBD 2, PSA 70.67, QED 0.65
Compound (SMILES): COc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: DGUOURUDLFUAAD-PPVVZDBHSA-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 401.53, ALogP 3.29, HBA 5, HBD 2, PSA 70.67, QED 0.78
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: VKYHCEFZJNQFAX-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 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 467.59, ALogP 4.47, HBA 6, HBD 2, PSA 79.9, QED 0.53
Compound (SMILES): COc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: BTZIFFTVNYFUFV-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 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 426.54, ALogP 3.23, HBA 6, HBD 2, PSA 83.56, QED 0.65
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: MFAQTRBFQFBHDG-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 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 444.38, ALogP 3.99, HBA 5, HBD 2, PSA 70.67, QED 0.73
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: LJFFJGLAKTWTDO-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 441.56, ALogP 2.87, HBA 7, HBD 2, PSA 88.49, QED 0.61
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: BJAMEXXMEOGSNC-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 = 1 nM (pChEMBL 9)
Descriptors: MW 457.62, ALogP 4.41, HBA 6, HBD 2, PSA 70.67, QED 0.57
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3cccc(C)n3)s2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: WUCYMTCVPAIHGB-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 = 0.631 nM (pChEMBL 9.199999809265137)
Descriptors: MW 472.64, ALogP 4.11, HBA 7, HBD 2, PSA 83.56, QED 0.56
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: LWRUDBOQBYWHJX-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 = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 458.58, ALogP 2.81, HBA 6, HBD 2, PSA 90.98, QED 0.69
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc2ccccc2c1
InChIKey: UTBJTNQPHLLPHG-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 425.55, ALogP 3.84, HBA 5, HBD 2, PSA 70.67, QED 0.65
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(Br)s1
InChIKey: MBHRVZOLJAGERA-TXEJJXNPSA-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 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 460.42, ALogP 3.51, HBA 6, HBD 2, PSA 70.67, QED 0.71
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)cc1
InChIKey: FPICGRHZIRIVII-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 = 10 nM (pChEMBL 8)
Descriptors: MW 466.61, ALogP 4.05, HBA 6, HBD 2, PSA 83.56, QED 0.57
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)s1
InChIKey: FVWTXJONMLUAOR-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)c1cccc(Cl)c1Cl
InChIKey: JIDLFPGLKGQIOP-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 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 444.38, ALogP 3.99, HBA 5, HBD 2, PSA 70.67, QED 0.73
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1cccc2cccnc12
InChIKey: UHIPAVDVQCEWHZ-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 426.54, ALogP 3.23, HBA 6, HBD 2, PSA 83.56, QED 0.65
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIKey: SZGIMGKYZVQPQC-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 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 444.38, ALogP 3.99, HBA 5, HBD 2, PSA 70.67, QED 0.73
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cnco2)cc1
InChIKey: MFWWMMTXUZBNQU-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 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(-c2cccnc2)cc1
InChIKey: JUQGMIQZUMEVMS-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 = 100 nM (pChEMBL 7)
Descriptors: MW 452.58, ALogP 3.74, HBA 6, HBD 2, PSA 83.56, QED 0.59
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)cc1
InChIKey: CHMGRASIUUBOFY-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 = 5.012 nM (pChEMBL 8.300000190734863)
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(-c2cccnc2)s1
InChIKey: BVBABRMSAATLAQ-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 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(-c2ccsc2)s1
InChIKey: HQCFSEQNFRDYMU-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 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 463.65, ALogP 4.47, HBA 7, HBD 2, PSA 70.67, QED 0.56
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3cccc(C)n3)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: QFXXWHKSCZAXQR-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 466.61, ALogP 4.05, HBA 6, HBD 2, PSA 83.56, QED 0.57
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1cc2cc(Cl)ccc2s1
InChIKey: XEIVAKLEBXGOHA-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 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 466.03, ALogP 4.55, HBA 6, HBD 2, PSA 70.67, QED 0.58
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3cnco3)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: PHQGAKCIPHIVJI-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 = 39.81 nM (pChEMBL 7.400000095367432)
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)c1cccc(Br)c1
InChIKey: SPBUTHBDXDETSA-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 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 454.39, ALogP 3.45, HBA 5, HBD 2, PSA 70.67, QED 0.72
Compound (SMILES): COc1cc(F)c(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1
InChIKey: BKGNOSWIYUTCNN-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 475.61, ALogP 4.55, HBA 6, HBD 2, PSA 70.67, QED 0.55
Compound (SMILES): COc1cc(F)c(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1
InChIKey: LQJHZUUEYBGITC-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 476.6, ALogP 3.95, 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(-c2cccs2)s1
InChIKey: FZMJJJAXKDMPPE-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 = 3.981 nM (pChEMBL 8.399999618530273)
Descriptors: MW 463.65, ALogP 4.47, HBA 7, HBD 2, PSA 70.67, QED 0.56
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(Cl)s2)cc1
InChIKey: SGRRNBMPCNIWBI-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 492.07, ALogP 5.06, HBA 6, HBD 2, PSA 70.67, QED 0.5
Compound (SMILES): C[C@@H]1CN(c2cc(NS(=O)(=O)c3ccc(-c4cccs4)cc3)ccc2C#N)C[C@H](C)N1
InChIKey: LSOBTYOSPYBIDV-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 452.61, ALogP 4.27, HBA 6, HBD 2, PSA 85.23, QED 0.6
Compound (SMILES): COc1ccc(Oc2cccc(S(=O)(=O)Nc3cc(N4C[C@@H](C)N[C@@H](C)C4)ccc3OC)c2)cc1
InChIKey: OFIOIFYVSCFBBP-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 = 100 nM (pChEMBL 7)
Descriptors: MW 497.62, ALogP 4.48, HBA 7, HBD 2, PSA 89.13, QED 0.47
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1csc2ccccc12
InChIKey: QJFVMXCHYLPAHC-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 431.58, ALogP 3.9, HBA 6, HBD 2, PSA 70.67, QED 0.64
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1sc2ccc(F)cc2c1C
InChIKey: YUPUCSAGOWTSKC-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 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 463.6, ALogP 4.34, HBA 6, HBD 2, PSA 70.67, QED 0.59
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3ccsc3)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: JQYFIRSOYLCOEF-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 = 2.512 nM (pChEMBL 8.600000381469727)
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)c1cccc(-c2cccs2)c1
InChIKey: VQUSMMGUQBEAJQ-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 457.62, ALogP 4.41, HBA 6, HBD 2, PSA 70.67, QED 0.57
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3ccsc3)s2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: BVKNDVFYWUCVFR-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 463.65, ALogP 4.47, HBA 7, HBD 2, PSA 70.67, QED 0.56
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)s2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: ADEUJLRFCPZMMU-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 = 1 nM (pChEMBL 9)
Descriptors: MW 457.62, ALogP 4.41, HBA 6, HBD 2, PSA 70.67, QED 0.57
Compound (SMILES): C[C@@H]1CN(c2ccc(O)c(NS(=O)(=O)c3ccc(-c4ccccn4)s3)c2)C[C@H](C)N1
InChIKey: HQWIZCGVCYYCAB-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 444.58, ALogP 3.5, HBA 7, HBD 3, PSA 94.56, QED 0.52
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc2c(Cl)cccc2c1
InChIKey: UBFUCYIAFCGOGM-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 460, ALogP 4.49, HBA 5, HBD 2, PSA 70.67, QED 0.59
Compound (SMILES): COc1ccc(NS(=O)(=O)c2ccc(-c3cnco3)s2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIKey: MSZOPBLHRJWRNK-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 448.57, ALogP 3.4, HBA 8, HBD 2, PSA 96.7, QED 0.6
Compound (SMILES): COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cnccc2OC)s1
InChIKey: YHHNINBOJRMJTB-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 488.64, ALogP 3.81, HBA 8, HBD 2, PSA 92.79, QED 0.52
Compound (SMILES): CCOc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1
InChIKey: FPQRDSVYFZQCOD-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 4.8, HBA 6, HBD 2, PSA 70.67, QED 0.52