lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=c1nc(OCC2COc3ncccc3O2)cc2n1CCc1cc(-c3cccnc3)ccc1-2
InChIKey: MUTOCOHBCBIPTK-UHFFFAOYSA-N
Target: G-protein coupled receptor 84 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NQS5
Assay: Antagonist activity against GPR84 (unknown origin) expressed in cell membranes assessed as inhibition of 3,3'-di-indolylmethane-induced [35S]GTPgammaS binding treated for 90 mins after 3,3'-di-indolylmethane stimulation in buffer containing 20 mM Tris at pH 7.5 by top-count assay
Measurement: IC50 = 0.01 nM (pChEMBL 11)
Descriptors: MW 440.46, ALogP 3.14, HBA 8, HBD 0, PSA 88.36, QED 0.48
Compound (SMILES): N#Cc1ccccc1-c1ccc2c(c1)CCn1c-2cc(OCC2COc3ncccc3O2)nc1=O
InChIKey: ZVQXEFMOZYMRFN-UHFFFAOYSA-N
Target: G-protein coupled receptor 84 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NQS5
Assay: Antagonist activity against GPR84 (unknown origin) expressed in cell membranes assessed as inhibition of 3,3'-di-indolylmethane-induced [35S]GTPgammaS binding treated for 90 mins after 3,3'-di-indolylmethane stimulation in buffer containing 20 mM Tris at pH 7.5 by top-count assay
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 464.48, ALogP 3.62, HBA 8, HBD 0, PSA 99.26, QED 0.45
Compound (SMILES): COc1ccccc1-c1ccc2c(c1)CCn1c-2cc(OCC2COc3ncccc3O2)nc1=O
InChIKey: BLMJCZYOVGFZLV-UHFFFAOYSA-N
Target: G-protein coupled receptor 84 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NQS5
Assay: Antagonist activity against GPR84 (unknown origin) expressed in cell membranes assessed as inhibition of 3,3'-di-indolylmethane-induced [35S]GTPgammaS binding treated for 90 mins after 3,3'-di-indolylmethane stimulation in buffer containing 20 mM Tris at pH 7.5 by top-count assay
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 469.5, ALogP 3.76, HBA 8, HBD 0, PSA 84.7, QED 0.44
Compound (SMILES): O=c1nc(OCC2COc3ncccc3O2)cc2n1CCc1cc(-c3ccc4[nH]ncc4c3)ccc1-2
InChIKey: HEXYFVGJHCTQST-UHFFFAOYSA-N
Target: G-protein coupled receptor 84 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NQS5
Assay: Antagonist activity against GPR84 (unknown origin) expressed in cell membranes assessed as inhibition of 3,3'-di-indolylmethane-induced [35S]GTPgammaS binding treated for 90 mins after 3,3'-di-indolylmethane stimulation in buffer containing 20 mM Tris at pH 7.5 by top-count assay
Measurement: IC50 = 0.01 nM (pChEMBL 11)
Descriptors: MW 479.5, ALogP 3.62, HBA 8, HBD 1, PSA 104.15, QED 0.42
Compound (SMILES): O=c1nc(OCC2COc3ncccc3O2)cc2n1CCc1cc(-c3cncnc3)ccc1-2
InChIKey: XFIMSUZLQKFQIK-UHFFFAOYSA-N
Target: G-protein coupled receptor 84 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NQS5
Assay: Antagonist activity against GPR84 (unknown origin) expressed in cell membranes assessed as inhibition of 3,3'-di-indolylmethane-induced [35S]GTPgammaS binding treated for 90 mins after 3,3'-di-indolylmethane stimulation in buffer containing 20 mM Tris at pH 7.5 by top-count assay
Measurement: IC50 = 0.01 nM (pChEMBL 11)
Descriptors: MW 441.45, ALogP 2.54, HBA 9, HBD 0, PSA 101.25, QED 0.48
Compound (SMILES): NC(=O)c1cccc(-c2ccc3c(c2)CCn2c-3cc(OCC3COc4ncccc4O3)nc2=O)c1
InChIKey: ZVLOGVWRKRHVLV-UHFFFAOYSA-N
Target: G-protein coupled receptor 84 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NQS5
Assay: Antagonist activity against GPR84 (unknown origin) expressed in cell membranes assessed as inhibition of 3,3'-di-indolylmethane-induced [35S]GTPgammaS binding treated for 90 mins after 3,3'-di-indolylmethane stimulation in buffer containing 20 mM Tris at pH 7.5 by top-count assay
Measurement: IC50 = 0.01 nM (pChEMBL 11)
Descriptors: MW 482.5, ALogP 2.85, HBA 8, HBD 1, PSA 118.56, QED 0.46
Compound (SMILES): O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1NC(=O)C1CCCCC1
InChIKey: XLMBIGKMXAKTMS-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 74700 nM (pChEMBL 4.130000114440918)
Descriptors: MW 367.4, ALogP 4.37, HBA 4, HBD 2, PSA 101.34, QED 0.61
Compound (SMILES): CC(C)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
InChIKey: APGOHRPTJLNZEH-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 5290 nM (pChEMBL 5.28000020980835)
Descriptors: MW 364.49, ALogP 5.58, HBA 2, HBD 2, PSA 58.2, QED 0.73
Compound (SMILES): O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1NC(=O)C1CCCCC1
InChIKey: KASDOQIVMVIPKZ-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 94000 nM (pChEMBL 4.03000020980835)
Descriptors: MW 390.4, ALogP 5.48, HBA 2, HBD 2, PSA 58.2, QED 0.73
Compound (SMILES): CC(C)(C)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
InChIKey: MBQHKCIVBQDLMD-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 2650 nM (pChEMBL 5.579999923706055)
Descriptors: MW 378.52, ALogP 5.76, HBA 2, HBD 2, PSA 58.2, QED 0.71
Compound (SMILES): COc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
InChIKey: MWYBCJUJEFNNHK-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 37400 nM (pChEMBL 4.429999828338623)
Descriptors: MW 352.43, ALogP 4.47, HBA 3, HBD 2, PSA 67.43, QED 0.83
Compound (SMILES): O=C(Nc1cccc(F)c1)c1ccccc1NC(=O)C1CCCCC1
InChIKey: WEINUQXTFVPWAY-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 13300 nM (pChEMBL 4.880000114440918)
Descriptors: MW 340.4, ALogP 4.6, HBA 2, HBD 2, PSA 58.2, QED 0.85
Compound (SMILES): O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C1CCCCC1
InChIKey: DKCDCNHMGHPACV-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 37400 nM (pChEMBL 4.429999828338623)
Descriptors: MW 340.4, ALogP 4.6, HBA 2, HBD 2, PSA 58.2, QED 0.85
Compound (SMILES): O=C(Nc1cccc(Br)c1)c1ccccc1NC(=O)C1CCCCC1
InChIKey: LDWIBUXEMKKIJJ-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 2650 nM (pChEMBL 5.579999923706055)
Descriptors: MW 401.3, ALogP 5.22, HBA 2, HBD 2, PSA 58.2, QED 0.74
Compound (SMILES): O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1NC(=O)C1CCCCC1
InChIKey: LNDWWXVPADKTJP-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 5930 nM (pChEMBL 5.230000019073486)
Descriptors: MW 367.4, ALogP 4.37, HBA 4, HBD 2, PSA 101.34, QED 0.61
Compound (SMILES): C#Cc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
InChIKey: DCWHKHHRIOPSRX-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 6660 nM (pChEMBL 5.179999828338623)
Descriptors: MW 346.43, ALogP 4.44, HBA 2, HBD 2, PSA 58.2, QED 0.8
Compound (SMILES): O=C(Nc1cccc(Cl)c1)c1ccccc1NC(=O)C1CCCCC1
InChIKey: CWZZSRWZIBKKOY-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay
Measurement: EC50 = 3340 nM (pChEMBL 5.480000019073486)
Descriptors: MW 356.85, ALogP 5.11, HBA 2, HBD 2, PSA 58.2, QED 0.8
Compound (SMILES): O=C(Nc1cccc(I)c1)c1ccccc1NC(=O)C1CCCCC1
InChIKey: JCZMZWBTSUFZAD-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 2970 nM (pChEMBL 5.53000020980835)
Descriptors: MW 448.3, ALogP 5.06, HBA 2, HBD 2, PSA 58.2, QED 0.64
Compound (SMILES): CSc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
InChIKey: NHKINKUGDMROHT-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 5290 nM (pChEMBL 5.28000020980835)
Descriptors: MW 368.5, ALogP 5.18, HBA 3, HBD 2, PSA 58.2, QED 0.72
Compound (SMILES): O=C(Nc1cccc(SC(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCC1
InChIKey: ZGULDRFPHZVIGF-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 1880 nM (pChEMBL 5.730000019073486)
Descriptors: MW 422.47, ALogP 6.07, HBA 3, HBD 2, PSA 58.2, QED 0.58
Compound (SMILES): O=C(Nc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCC1
InChIKey: JCCHAOMTEAVGSL-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 1060 nM (pChEMBL 5.96999979019165)
Descriptors: MW 454.47, ALogP 4.75, HBA 4, HBD 2, PSA 92.34, QED 0.68
Compound (SMILES): O=C(Nc1cccc(-c2ccccc2C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCC1
InChIKey: VNXLCRZLATUWJC-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 2650 nM (pChEMBL 5.579999923706055)
Descriptors: MW 466.5, ALogP 7.14, HBA 2, HBD 2, PSA 58.2, QED 0.42
Compound (SMILES): O=C(Nc1ccc2c(c1)CCC2)c1ccccc1NC(=O)C1CCCCC1
InChIKey: YTCMGDQCZVSTII-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 9400 nM (pChEMBL 5.03000020980835)
Descriptors: MW 362.47, ALogP 4.95, HBA 2, HBD 2, PSA 58.2, QED 0.81
Compound (SMILES): O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)C1CCCCC1
InChIKey: DCPSZYAYVXUKLL-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 74700 nM (pChEMBL 4.130000114440918)
Descriptors: MW 366.42, ALogP 4.19, HBA 4, HBD 2, PSA 76.66, QED 0.85
Compound (SMILES): O=C(Nc1ccc2cc[nH]c2c1)c1ccccc1NC(=O)C1CCCCC1
InChIKey: FLTSJUJXOYCUFM-UHFFFAOYSA-N
Target: Relaxin receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WXD0
Assay: Agonist activity at RXFP2 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by HTRF assay
Measurement: AC50 = 9400 nM (pChEMBL 5.03000020980835)
Descriptors: MW 361.44, ALogP 4.94, HBA 2, HBD 3, PSA 73.99, QED 0.62
Compound (SMILES): O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccccc1NC(=O)C1CCCCC1
InChIKey: JHZJADQGVUCBMO-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 9400 nM (pChEMBL 5.03000020980835)
Descriptors: MW 445.52, ALogP 4.98, HBA 4, HBD 3, PSA 100.44, QED 0.48
Compound (SMILES): O=CNc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: OEBWBSLZSGOOPB-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 47100 nM (pChEMBL 4.329999923706055)
Descriptors: MW 308.26, ALogP 3.53, HBA 2, HBD 2, PSA 58.2, QED 0.85
Compound (SMILES): CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: FQCLYZLHRCQQJD-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 74700 nM (pChEMBL 4.130000114440918)
Descriptors: MW 322.29, ALogP 3.92, HBA 2, HBD 2, PSA 58.2, QED 0.9
Compound (SMILES): CCC(CC)C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: TVOTZIGTEZBARS-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 5290 nM (pChEMBL 5.28000020980835)
Descriptors: MW 378.39, ALogP 5.33, HBA 2, HBD 2, PSA 58.2, QED 0.71
Compound (SMILES): CCCCC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: MLWQRRGIZDDKQR-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 5290 nM (pChEMBL 5.28000020980835)
Descriptors: MW 364.37, ALogP 5.09, HBA 2, HBD 2, PSA 58.2, QED 0.75
Compound (SMILES): CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: QZZGHRJQYFJJOS-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 5290 nM (pChEMBL 5.28000020980835)
Descriptors: MW 380.37, ALogP 5.3, HBA 3, HBD 2, PSA 67.43, QED 0.76
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CC1
InChIKey: DLHYBJOKFUWQFK-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 8380 nM (pChEMBL 5.079999923706055)
Descriptors: MW 348.32, ALogP 4.31, HBA 2, HBD 2, PSA 58.2, QED 0.87
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCC1
InChIKey: WKTRNQDYHNQMDX-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 2970 nM (pChEMBL 5.53000020980835)
Descriptors: MW 362.35, ALogP 4.7, HBA 2, HBD 2, PSA 58.2, QED 0.83
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCC1
InChIKey: JYEJTVKTNKWOTM-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay
Measurement: EC50 = 2360 nM (pChEMBL 5.630000114440918)
Descriptors: MW 376.38, ALogP 5.09, HBA 2, HBD 2, PSA 58.2, QED 0.78
Compound (SMILES): CC1CCC(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIKey: JHZCRMBSMXIHFD-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 2360 nM (pChEMBL 5.630000114440918)
Descriptors: MW 404.43, ALogP 5.72, HBA 2, HBD 2, PSA 58.2, QED 0.68
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIKey: JRQZGOAGCBXTOB-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 4710 nM (pChEMBL 5.329999923706055)
Descriptors: MW 442.48, ALogP 6.11, HBA 2, HBD 2, PSA 58.2, QED 0.6
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCCC1
InChIKey: IIWZJZLNNDCNKN-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 2110 nM (pChEMBL 5.679999828338623)
Descriptors: MW 404.43, ALogP 5.87, HBA 2, HBD 2, PSA 58.2, QED 0.63
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIKey: DORHQWBAPHXLJL-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 1320 nM (pChEMBL 5.880000114440918)
Descriptors: MW 384.36, ALogP 5.21, HBA 2, HBD 2, PSA 58.2, QED 0.65
Compound (SMILES): O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: UNYRSFZLRLCZHD-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay
Measurement: EC50 = 8380 nM (pChEMBL 5.079999923706055)
Descriptors: MW 398.38, ALogP 5.14, HBA 2, HBD 2, PSA 58.2, QED 0.63
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1cccc2ccccc12
InChIKey: FALIDTUFIYPOON-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 5930 nM (pChEMBL 5.230000019073486)
Descriptors: MW 434.42, ALogP 6.36, HBA 2, HBD 2, PSA 58.2, QED 0.39
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1
InChIKey: UNNUONPMURTFBY-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 14900 nM (pChEMBL 4.829999923706055)
Descriptors: MW 434.42, ALogP 6.36, HBA 2, HBD 2, PSA 58.2, QED 0.39
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2
InChIKey: RMUKVFHLHUDQDS-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 6660 nM (pChEMBL 5.179999828338623)
Descriptors: MW 428.37, ALogP 4.94, HBA 4, HBD 2, PSA 76.66, QED 0.62
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1cccc2nc[nH]c12
InChIKey: AZCSFLKUENJDTO-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 11800 nM (pChEMBL 4.929999828338623)
Descriptors: MW 424.38, ALogP 5.09, HBA 3, HBD 3, PSA 86.88, QED 0.43
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccno1
InChIKey: UAFOUFFGKXPUIQ-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 14900 nM (pChEMBL 4.829999923706055)
Descriptors: MW 375.31, ALogP 4.2, HBA 4, HBD 2, PSA 84.23, QED 0.72
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1
InChIKey: UIGYPEKKGRVRLM-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 2360 nM (pChEMBL 5.630000114440918)
Descriptors: MW 374.32, ALogP 4.8, HBA 3, HBD 2, PSA 71.34, QED 0.69
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccs1
InChIKey: MNZDBXKQLWJPSS-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 1880 nM (pChEMBL 5.730000019073486)
Descriptors: MW 390.39, ALogP 5.27, HBA 3, HBD 2, PSA 58.2, QED 0.64
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccnc1
InChIKey: CABLZLANVVFNQB-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 5930 nM (pChEMBL 5.230000019073486)
Descriptors: MW 385.35, ALogP 4.61, HBA 3, HBD 2, PSA 71.09, QED 0.69
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccncc1
InChIKey: AYJGMYMIIVLLRL-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 7470 nM (pChEMBL 5.130000114440918)
Descriptors: MW 385.35, ALogP 4.61, HBA 3, HBD 2, PSA 71.09, QED 0.69
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1C(F)(F)F
InChIKey: VVGZQBDOVNNLNG-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 7470 nM (pChEMBL 5.130000114440918)
Descriptors: MW 452.35, ALogP 6.23, HBA 2, HBD 2, PSA 58.2, QED 0.46
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIKey: PWDDSZLSQQTFNC-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 2970 nM (pChEMBL 5.53000020980835)
Descriptors: MW 452.35, ALogP 6.23, HBA 2, HBD 2, PSA 58.2, QED 0.46
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1
InChIKey: BIKXUHJOPBRESY-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 5930 nM (pChEMBL 5.230000019073486)
Descriptors: MW 452.35, ALogP 6.23, HBA 2, HBD 2, PSA 58.2, QED 0.46
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: YDUOICGJIJCZRP-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 520.35, ALogP 7.25, HBA 2, HBD 2, PSA 58.2, QED 0.36
Compound (SMILES): COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: ARGWKCNXOVDSJY-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 334 nM (pChEMBL 6.480000019073486)
Descriptors: MW 414.38, ALogP 5.22, HBA 3, HBD 2, PSA 67.43, QED 0.6
Compound (SMILES): COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIKey: MHMUKLZACPVPGL-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 1880 nM (pChEMBL 5.730000019073486)
Descriptors: MW 414.38, ALogP 5.22, HBA 3, HBD 2, PSA 67.43, QED 0.6
Compound (SMILES): COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIKey: PQZVYXIEAFYJOW-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 9400 nM (pChEMBL 5.03000020980835)
Descriptors: MW 414.38, ALogP 5.22, HBA 3, HBD 2, PSA 67.43, QED 0.6
Compound (SMILES): Cc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: RGDYELOMVIBUPS-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 398.38, ALogP 5.52, HBA 2, HBD 2, PSA 58.2, QED 0.61
Compound (SMILES): Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIKey: PIGNSYZNAFHAAD-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 3740 nM (pChEMBL 5.429999828338623)
Descriptors: MW 398.38, ALogP 5.52, HBA 2, HBD 2, PSA 58.2, QED 0.61
Compound (SMILES): Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIKey: QPAIZHPHMWJBIC-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 4710 nM (pChEMBL 5.329999923706055)
Descriptors: MW 398.38, ALogP 5.52, HBA 2, HBD 2, PSA 58.2, QED 0.61
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl
InChIKey: SSZGFAXEFRIGMM-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 3740 nM (pChEMBL 5.429999828338623)
Descriptors: MW 418.8, ALogP 5.86, HBA 2, HBD 2, PSA 58.2, QED 0.56
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1
InChIKey: OXBBNXRSASOKMV-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 1880 nM (pChEMBL 5.730000019073486)
Descriptors: MW 418.8, ALogP 5.86, HBA 2, HBD 2, PSA 58.2, QED 0.56
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIKey: JQVQUXNWJXEUMS-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 2650 nM (pChEMBL 5.579999923706055)
Descriptors: MW 418.8, ALogP 5.86, HBA 2, HBD 2, PSA 58.2, QED 0.56
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Br
InChIKey: YMGWSEJJTVXDOG-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 7470 nM (pChEMBL 5.130000114440918)
Descriptors: MW 463.25, ALogP 5.97, HBA 2, HBD 2, PSA 58.2, QED 0.5
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(Br)c1
InChIKey: DCHZOKWZTHDUOB-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 1670 nM (pChEMBL 5.78000020980835)
Descriptors: MW 463.25, ALogP 5.97, HBA 2, HBD 2, PSA 58.2, QED 0.5
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1
InChIKey: WQIXIKRUYGTEKY-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 463.25, ALogP 5.97, HBA 2, HBD 2, PSA 58.2, QED 0.5
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1I
InChIKey: WLKLLXSPBDSNLL-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 7470 nM (pChEMBL 5.130000114440918)
Descriptors: MW 510.25, ALogP 5.81, HBA 2, HBD 2, PSA 58.2, QED 0.44
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1
InChIKey: LRBXFAJQBGFSJM-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 1060 nM (pChEMBL 5.96999979019165)
Descriptors: MW 429.35, ALogP 5.12, HBA 4, HBD 2, PSA 101.34, QED 0.43
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1
InChIKey: KKTLUCNIUZSPTQ-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 1490 nM (pChEMBL 5.829999923706055)
Descriptors: MW 429.35, ALogP 5.12, HBA 4, HBD 2, PSA 101.34, QED 0.43
Compound (SMILES): N#Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIKey: FXMOGBFYURXWFJ-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 2100 nM (pChEMBL 5.679999828338623)
Descriptors: MW 409.37, ALogP 5.08, HBA 3, HBD 2, PSA 81.99, QED 0.63
Compound (SMILES): N#Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIKey: XURMRPZUXKCABJ-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 1670 nM (pChEMBL 5.78000020980835)
Descriptors: MW 409.37, ALogP 5.08, HBA 3, HBD 2, PSA 81.99, QED 0.63
Compound (SMILES): O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(-c2ccccc2)c1
InChIKey: ZJZJBNKVOKNIPZ-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 5290 nM (pChEMBL 5.28000020980835)
Descriptors: MW 460.46, ALogP 6.88, HBA 2, HBD 2, PSA 58.2, QED 0.34
Compound (SMILES): CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIKey: YRWGGEUCAUXBRE-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 9400 nM (pChEMBL 5.03000020980835)
Descriptors: MW 462.45, ALogP 4.61, HBA 4, HBD 2, PSA 92.34, QED 0.58
Compound (SMILES): CC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIKey: LQFOABUOGHOZAF-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 5930 nM (pChEMBL 5.230000019073486)
Descriptors: MW 426.39, ALogP 5.41, HBA 3, HBD 2, PSA 75.27, QED 0.54
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1OC(F)(F)F
InChIKey: LAYCDJVGDJWSGO-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 1180 nM (pChEMBL 5.929999828338623)
Descriptors: MW 468.35, ALogP 6.11, HBA 3, HBD 2, PSA 67.43, QED 0.44
Compound (SMILES): CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: HMUUFDCCBCUQAV-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 265 nM (pChEMBL 6.579999923706055)
Descriptors: MW 428.41, ALogP 5.61, HBA 3, HBD 2, PSA 67.43, QED 0.54
Compound (SMILES): CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: GBOROWPKNUMZDL-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 471 nM (pChEMBL 6.329999923706055)
Descriptors: MW 442.44, ALogP 6, HBA 3, HBD 2, PSA 67.43, QED 0.49
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1Oc1ccccc1
InChIKey: DCUOMFZKEKJECS-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 747 nM (pChEMBL 6.130000114440918)
Descriptors: MW 476.45, ALogP 7, HBA 3, HBD 2, PSA 67.43, QED 0.31
Compound (SMILES): COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: FWABSMRBOKADMR-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 7470 nM (pChEMBL 5.130000114440918)
Descriptors: MW 444.41, ALogP 5.23, HBA 4, HBD 2, PSA 76.66, QED 0.55
Compound (SMILES): COCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: JOBVMXATFOWLBC-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 747 nM (pChEMBL 6.130000114440918)
Descriptors: MW 458.44, ALogP 5.24, HBA 4, HBD 2, PSA 76.66, QED 0.45
Compound (SMILES): CNCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: LAYXUOKQDHACQF-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 3740 nM (pChEMBL 5.429999828338623)
Descriptors: MW 457.45, ALogP 4.81, HBA 4, HBD 3, PSA 79.46, QED 0.42
Compound (SMILES): CN(C)CCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: WCNASCCZAGIVIF-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 59300 nM (pChEMBL 4.230000019073486)
Descriptors: MW 485.51, ALogP 5.54, HBA 4, HBD 2, PSA 70.67, QED 0.39
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1OCCN1CCOCC1
InChIKey: RAWURYSXGBWPEY-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 4710 nM (pChEMBL 5.329999923706055)
Descriptors: MW 513.52, ALogP 4.92, HBA 5, HBD 2, PSA 79.9, QED 0.45
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1OCCN1CCCCC1
InChIKey: ACZWQXIJGVNQTN-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 2650 nM (pChEMBL 5.579999923706055)
Descriptors: MW 511.54, ALogP 6.07, HBA 4, HBD 2, PSA 70.67, QED 0.38
Compound (SMILES): CC(C)(C)OC(=O)N1CCN(CCOc2ccccc2C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIKey: QPHCCQBOTSLBTO-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 1330 nM (pChEMBL 5.880000114440918)
Descriptors: MW 612.65, ALogP 6.14, HBA 6, HBD 2, PSA 100.21, QED 0.32
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCC1CCCCC1
InChIKey: DLPAWFHYMTZRJN-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 5930 nM (pChEMBL 5.230000019073486)
Descriptors: MW 376.42, ALogP 5.95, HBA 2, HBD 2, PSA 41.13, QED 0.68
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccccc1
InChIKey: BXUJDNHEKUNFDS-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 47100 nM (pChEMBL 4.329999923706055)
Descriptors: MW 370.37, ALogP 5.57, HBA 2, HBD 2, PSA 41.13, QED 0.62
Compound (SMILES): COc1ccccc1CNc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: OWTGUVUPCCNKCM-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 59300 nM (pChEMBL 4.230000019073486)
Descriptors: MW 400.4, ALogP 5.58, HBA 3, HBD 2, PSA 50.36, QED 0.57
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Nc1ccccc1
InChIKey: FGWGVISWLZLTCH-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 356.35, ALogP 5.7, HBA 2, HBD 2, PSA 41.13, QED 0.63
Compound (SMILES): COc1ccccc1Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: ITTXELWEQXTYBP-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 4710 nM (pChEMBL 5.329999923706055)
Descriptors: MW 386.37, ALogP 5.71, HBA 3, HBD 2, PSA 50.36, QED 0.59
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIKey: MUBIWXJCJXOQDA-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 424.34, ALogP 6.72, HBA 2, HBD 2, PSA 41.13, QED 0.46
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1cccc(C(F)(F)F)c1
InChIKey: BYYDJJPFOMWFLW-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 47100 nM (pChEMBL 4.329999923706055)
Descriptors: MW 438.37, ALogP 6.59, HBA 2, HBD 2, PSA 41.13, QED 0.44
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCCc1ccccc1
InChIKey: SHUYCUKYPFXKHC-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 9400 nM (pChEMBL 5.03000020980835)
Descriptors: MW 384.4, ALogP 5.61, HBA 2, HBD 2, PSA 41.13, QED 0.58
Compound (SMILES): COCCNc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey: GGPKGBYGOWNVIC-UHFFFAOYSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by TR-FRET based HTRF assay
Measurement: AC50 = 59300 nM (pChEMBL 4.230000019073486)
Descriptors: MW 338.33, ALogP 4.02, HBA 3, HBD 2, PSA 50.36, QED 0.78
Compound (SMILES): CCOc1ccc(NC(c2ccccn2)c2ccc3cccnc3c2O)cc1
InChIKey: YKIYGNLLHIJAIA-UHFFFAOYSA-N
Target: G protein-coupled receptor kinase 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P43250
Assay: Inhibition of human recombinant full-length GST-tagged human GRK6 using peptide substrate peptide-216 incubated for 7 hrs
Measurement: IC50 = 4480 nM (pChEMBL 5.349999904632568)
Descriptors: MW 371.44, ALogP 4.94, HBA 5, HBD 2, PSA 67.27, QED 0.5
Compound (SMILES): CC1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIKey: MODHPFWYLIVFGN-UHFFFAOYSA-N
Target: PAS domain-containing serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RG2
Assay: Inhibition of human recombinant PASK using Ulight-peptide substrate incubated for 2 hrs by TR-FRET assay
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 333.39, ALogP 3.98, HBA 4, HBD 1, PSA 66.32, QED 0.79
Compound (SMILES): CCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIKey: LTZGWNSNJBIENC-UHFFFAOYSA-N
Target: PAS domain-containing serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RG2
Assay: Inhibition of human recombinant PASK using Ulight-peptide substrate incubated for 2 hrs by TR-FRET assay
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 335.41, ALogP 4.23, HBA 4, HBD 1, PSA 66.32, QED 0.76
Compound (SMILES): O=C(O)c1ccc2nc(-c3ccccc3)c(N3CC[C@@H](O)C3)nc2c1
InChIKey: HHMZHNSQCKBNQA-CQSZACIVSA-N
Target: PAS domain-containing serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RG2
Assay: Inhibition of human recombinant PASK using Ulight-peptide substrate incubated for 2 hrs by TR-FRET assay
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 335.36, ALogP 2.57, HBA 5, HBD 2, PSA 86.55, QED 0.76
Compound (SMILES): O=C(O)c1ccc2nc(-c3ccccc3)c(N3CC[C@H](O)C3)nc2c1
InChIKey: HHMZHNSQCKBNQA-AWEZNQCLSA-N
Target: PAS domain-containing serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RG2
Assay: Inhibition of human recombinant PASK using Ulight-peptide substrate incubated for 2 hrs by TR-FRET assay
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 335.36, ALogP 2.57, HBA 5, HBD 2, PSA 86.55, QED 0.76
Compound (SMILES): O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCC[C@H]3CO)nc2c1
InChIKey: RSHYJNDBLZXSLE-HNNXBMFYSA-N
Target: PAS domain-containing serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RG2
Assay: Inhibition of human recombinant PASK using Ulight-peptide substrate incubated for 2 hrs by TR-FRET assay
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 349.39, ALogP 2.96, HBA 5, HBD 2, PSA 86.55, QED 0.75
Compound (SMILES): CC1COCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIKey: PRHUXQAFHYAZOS-UHFFFAOYSA-N
Target: PAS domain-containing serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RG2
Assay: Inhibition of human recombinant PASK using Ulight-peptide substrate incubated for 2 hrs by TR-FRET assay
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 349.39, ALogP 3.22, HBA 5, HBD 1, PSA 75.55, QED 0.78
Compound (SMILES): C[C@@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIKey: MODHPFWYLIVFGN-CYBMUJFWSA-N
Target: PAS domain-containing serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RG2
Assay: Inhibition of human recombinant PASK using Ulight-peptide substrate incubated for 2 hrs by TR-FRET assay
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 333.39, ALogP 3.98, HBA 4, HBD 1, PSA 66.32, QED 0.79
Compound (SMILES): C[C@H](c1ccccc1)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIKey: BAGVMYQIIZVDCW-MRXNPFEDSA-N
Target: PAS domain-containing serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RG2
Assay: Inhibition of human recombinant PASK using Ulight-peptide substrate incubated for 2 hrs by TR-FRET assay
Measurement: IC50 <= 10000 nM (pChEMBL 5)
Descriptors: MW 383.45, ALogP 5.19, HBA 4, HBD 1, PSA 66.32, QED 0.51