lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(-c4ccccc4)ccc3C[C@@H]21
InChIKey: WAPUKLYCBSTTSI-BWKNWUBXSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 998 nM (pChEMBL 6)
Descriptors: MW 393.49, ALogP 5.17, HBA 2, HBD 1, PSA 48.99, QED 0.51
Compound (SMILES): O=C(c1ccc2nc[nH]c2c1)N1CCC[C@@H]2c3cc(C#Cc4ccccc4)ccc3C[C@@H]21
InChIKey: CQQBKEVVXTUORR-KCWPFWIISA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 1786 nM (pChEMBL 5.75)
Descriptors: MW 417.51, ALogP 4.91, HBA 2, HBD 1, PSA 48.99, QED 0.45
Compound (SMILES): O=C(c1ccc2nc[nH]c2c1)N1CCC[C@@H]2c3cc(-c4ccoc4)ccc3C[C@@H]21
InChIKey: PYOOVVXMJBQBPO-XXBNENTESA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 367 nM (pChEMBL 6.429999828338623)
Descriptors: MW 383.45, ALogP 4.77, HBA 3, HBD 1, PSA 62.13, QED 0.54
Compound (SMILES): CC#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4nc[nH]c4c3)[C@H]1C2
InChIKey: FQLCXOSEBAYHJD-GCJKJVERSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 212 nM (pChEMBL 6.670000076293945)
Descriptors: MW 355.44, ALogP 3.88, HBA 2, HBD 1, PSA 48.99, QED 0.67
Compound (SMILES): Cn1cc(-c2ccc3c(c2)[C@H]2CCCN(C(=O)c4ccc5[nH]cnc5c4)[C@H]2C3)cn1
InChIKey: HEWGAWBYLOHZDX-XXBNENTESA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 354 nM (pChEMBL 6.449999809265137)
Descriptors: MW 397.48, ALogP 3.91, HBA 4, HBD 1, PSA 66.81, QED 0.56
Compound (SMILES): Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2
InChIKey: DNXXGYFANIDRKV-UZLBHIALSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 67 nM (pChEMBL 7.170000076293945)
Descriptors: MW 331.42, ALogP 3.82, HBA 2, HBD 1, PSA 48.99, QED 0.74
Compound (SMILES): O=C(c1ccc2nc[nH]c2c1)N1CCC[C@@H]2c3cc(C4CCOCC4)ccc3C[C@@H]21
InChIKey: RGNUWCSONAQZKC-YKSBVNFPSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 1315 nM (pChEMBL 5.880000114440918)
Descriptors: MW 401.51, ALogP 4.4, HBA 3, HBD 1, PSA 58.22, QED 0.69
Compound (SMILES): O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(C4CCCC4)ccc3C[C@@H]21
InChIKey: NKSYBJUMTKTHRF-YKSBVNFPSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 449 nM (pChEMBL 6.349999904632568)
Descriptors: MW 385.51, ALogP 5.17, HBA 2, HBD 1, PSA 48.99, QED 0.66
Compound (SMILES): CC(=O)Nc1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1
InChIKey: NPOBRLLPFGSKOB-NQIIRXRSSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 182 nM (pChEMBL 6.739999771118164)
Descriptors: MW 374.44, ALogP 3.47, HBA 3, HBD 2, PSA 78.09, QED 0.72
Compound (SMILES): CS(=O)(=O)Nc1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2nc[nH]c2c1
InChIKey: NPSLQEWBFAJBLT-XLIONFOSSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 573 nM (pChEMBL 6.239999771118164)
Descriptors: MW 410.5, ALogP 2.88, HBA 4, HBD 2, PSA 95.16, QED 0.69
Compound (SMILES): O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(O)c([N+](=O)[O-])cc3C[C@@H]21
InChIKey: FKTJJPRLHWTBSG-DYVFJYSZSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 313 nM (pChEMBL 6.5)
Descriptors: MW 378.39, ALogP 3.12, HBA 5, HBD 2, PSA 112.36, QED 0.53
Compound (SMILES): Nc1cc2c(cc1O)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2
InChIKey: DXJPIPOAGFRHQK-ACJLOTCBSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 429 nM (pChEMBL 6.369999885559082)
Descriptors: MW 348.41, ALogP 2.8, HBA 4, HBD 3, PSA 95.24, QED 0.47
Compound (SMILES): Cc1nc2cc3c(cc2o1)[C@H]1CCCN(C(=O)c2ccc4nc[nH]c4c2)[C@H]1C3
InChIKey: FGANXIQPUHEMEK-QRWLVFNGSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 248 nM (pChEMBL 6.610000133514404)
Descriptors: MW 372.43, ALogP 3.96, HBA 4, HBD 1, PSA 75.02, QED 0.55
Compound (SMILES): O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc4ocnc4cc3C[C@@H]21
InChIKey: ORHZZVDQAPIJGK-KUHUBIRLSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 218 nM (pChEMBL 6.659999847412109)
Descriptors: MW 358.4, ALogP 3.65, HBA 4, HBD 1, PSA 75.02, QED 0.56
Compound (SMILES): COc1cc2c(cc1C)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2nc[nH]c2c1
InChIKey: UPIFSROXISOJRW-UZLBHIALSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 5.6 nM (pChEMBL 8.25)
Descriptors: MW 361.45, ALogP 3.82, HBA 3, HBD 1, PSA 58.22, QED 0.75
Compound (SMILES): Cc1cc2c(cc1O)[C@H]1CCCN(C(=O)c3ccc4nc[nH]c4c3)[C@H]1C2
InChIKey: ZPRMKIRYWHZGCQ-BEFAXECRSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 18.6 nM (pChEMBL 7.730000019073486)
Descriptors: MW 347.42, ALogP 3.52, HBA 3, HBD 2, PSA 69.22, QED 0.71
Compound (SMILES): Cc1cc2c(cc1C#N)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2
InChIKey: WAGZLEPKWTWONO-UTKZUKDTSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 67 nM (pChEMBL 7.170000076293945)
Descriptors: MW 356.43, ALogP 3.69, HBA 3, HBD 1, PSA 72.78, QED 0.72
Compound (SMILES): Cc1c(C#N)ccc2c1[C@H]1CCCN(C(=O)c3ccc4nc[nH]c4c3)[C@H]1C2
InChIKey: GLINTZRCKYUHKH-PXNSSMCTSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 46.5 nM (pChEMBL 7.329999923706055)
Descriptors: MW 356.43, ALogP 3.69, HBA 3, HBD 1, PSA 72.78, QED 0.72
Compound (SMILES): Cc1cc2c(cc1C#N)[C@@H]1CCCN(C(=O)c3ccc4nc[nH]c4c3)[C@@H]1C2
InChIKey: WAGZLEPKWTWONO-LAUBAEHRSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 = 58.4 nM (pChEMBL 7.230000019073486)
Descriptors: MW 356.43, ALogP 3.69, HBA 3, HBD 1, PSA 72.78, QED 0.72
Compound (SMILES): Cc1c(C#N)ccc2c1[C@@H]1CCCN(C(=O)c3ccc4nc[nH]c4c3)[C@@H]1C2
InChIKey: GLINTZRCKYUHKH-YLJYHZDGSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: In Vitro Inhibition Assay: In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
Measurement: IC50 > 100 nM (pChEMBL 7)
Descriptors: MW 356.43, ALogP 3.69, HBA 3, HBD 1, PSA 72.78, QED 0.72
Compound (SMILES): CCOC[C@@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1)C1CCCCC1
InChIKey: SWFYKVKQBJAYSH-JBRSBNLGSA-N
Target: Renin (SINGLE PROTEIN), Homo sapiens
UniProt: P00797
Assay: FRET Assay: Inhibition activity of renin using FRET assay.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 484.69, ALogP 4.03, HBA 5, HBD 2, PSA 83.56, QED 0.52
Compound (SMILES): CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(CC(C)C)c2cc(OCCCOC)c(C(C)C)cn2)C1
InChIKey: OFDVVNMUUISCAR-JIMJEQGWSA-N
Target: Renin (SINGLE PROTEIN), Homo sapiens
UniProt: P00797
Assay: FRET Assay: Inhibition activity of renin using FRET assay.
Measurement: IC50 = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 562.8, ALogP 4.4, HBA 7, HBD 2, PSA 102.02, QED 0.27
Compound (SMILES): CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCCCOC)c(C(C)C)cn2)C2CC2)[C@@H]1O
InChIKey: XZBALHQYVAVUBB-DAHKTCFSSA-N
Target: Renin (SINGLE PROTEIN), Homo sapiens
UniProt: P00797
Assay: FRET Assay: Inhibition activity of renin using FRET assay.
Measurement: IC50 = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 562.75, ALogP 2.88, HBA 8, HBD 3, PSA 122.25, QED 0.26
Compound (SMILES): CCOC[C@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1)C(C)C
InChIKey: FCXMKGICWADYMY-VWPQPMDRSA-N
Target: Renin (SINGLE PROTEIN), Homo sapiens
UniProt: P00797
Assay: FRET Assay: Inhibition activity of renin using FRET assay.
Measurement: IC50 = 0.9 nM (pChEMBL 9.050000190734863)
Descriptors: MW 444.62, ALogP 3.1, HBA 5, HBD 2, PSA 83.56, QED 0.58
Compound (SMILES): CCOC[C@@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)C1)C1CCCCC1
InChIKey: YACOWXLDNACKBP-SGIRGMQISA-N
Target: Renin (SINGLE PROTEIN), Homo sapiens
UniProt: P00797
Assay: FRET Assay: Inhibition activity of renin using FRET assay.
Measurement: IC50 = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 514.71, ALogP 4.04, HBA 6, HBD 2, PSA 92.79, QED 0.46
Compound (SMILES): CCOC[C@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)[C@@H]1O)C(C)C
InChIKey: SRMVCYYZYNDTCC-BESBDSHLSA-N
Target: Renin (SINGLE PROTEIN), Homo sapiens
UniProt: P00797
Assay: FRET Assay: Inhibition activity of renin using FRET assay.
Measurement: IC50 = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 460.62, ALogP 2.07, HBA 6, HBD 3, PSA 103.79, QED 0.49
Compound (SMILES): CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(CC(C)C)c2cc(OC)c(C(C)C)cn2)C1
InChIKey: DTAYEDRKQOIBAU-YTFSRNRJSA-N
Target: Renin (SINGLE PROTEIN), Homo sapiens
UniProt: P00797
Assay: FRET Assay: Inhibition activity of renin using FRET assay.
Measurement: IC50 = 0.8 nM (pChEMBL 9.100000381469727)
Descriptors: MW 504.72, ALogP 4, HBA 6, HBD 2, PSA 92.79, QED 0.42
Compound (SMILES): CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)(C)OC)cn2)C2CC2)[C@@H]1O
InChIKey: LCKJHNVSFHSWNK-CNIHBODFSA-N
Target: Renin (SINGLE PROTEIN), Homo sapiens
UniProt: P00797
Assay: FRET Assay: Inhibition activity of renin using FRET assay.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 504.67, ALogP 2.22, HBA 7, HBD 3, PSA 113.02, QED 0.4
Compound (SMILES): CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(CC(C)C)c2cc(OCCCO)c(C(C)C)cn2)[C@@H]1O
InChIKey: PAIMMCIYMXYNIS-KEHCTXMOSA-N
Target: Renin (SINGLE PROTEIN), Homo sapiens
UniProt: P00797
Assay: FRET Assay: Inhibition activity of renin using FRET assay.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 564.77, ALogP 2.72, HBA 8, HBD 4, PSA 133.25, QED 0.23
Compound (SMILES): COC[C@H]1CC[C@H](NC(=O)[C@@H]2CNC[C@H](C(=O)N(c3cc(OC)c(C(C)C)cn3)C3CC3)[C@@H]2O)CC1
InChIKey: JUKBPBNCVSYTFC-OAUDRNOASA-N
Target: Renin (SINGLE PROTEIN), Homo sapiens
UniProt: P00797
Assay: FRET Assay: Inhibition activity of renin using FRET assay.
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 502.66, ALogP 2.23, HBA 7, HBD 3, PSA 113.02, QED 0.47
Compound (SMILES): CCOC[C@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)[C@@H]1O)C(C)C
InChIKey: DUBKNDHQCAWTRQ-MDAIXWLXSA-N
Target: Renin (SINGLE PROTEIN), Homo sapiens
UniProt: P00797
Assay: FRET Assay: Inhibition activity of renin using FRET assay.
Measurement: IC50 = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 490.65, ALogP 1.91, HBA 7, HBD 3, PSA 113.02, QED 0.41
Compound (SMILES): O=C(N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1ccccc1Cl
InChIKey: BCNYKJDRQYVJHM-OCCSQVGLSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 615 nM (pChEMBL 6.210000038146973)
Descriptors: MW 439.82, ALogP 4.05, HBA 3, HBD 1, PSA 61.88, QED 0.78
Compound (SMILES): O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](NS(=O)(=O)c3ccccc3Cl)CN12
InChIKey: SWJUDGPIIAONHL-OCCSQVGLSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 132 nM (pChEMBL 6.880000114440918)
Descriptors: MW 475.88, ALogP 3.6, HBA 4, HBD 1, PSA 78.95, QED 0.72
Compound (SMILES): Cc1ccc(S(=O)(=O)[C@@H]2C[C@H]3CN(c4ccc(OC(F)(F)F)cc4)C(=O)N3C2)cc1
InChIKey: IIKMDIQTYPXUEL-MAUKXSAKSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 843 nM (pChEMBL 6.070000171661377)
Descriptors: MW 440.44, ALogP 3.75, HBA 4, HBD 0, PSA 66.92, QED 0.73
Compound (SMILES): CC(C)CCS(=O)(=O)[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1
InChIKey: SEPFOGBCLAGUQI-GOEBONIOSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 842 nM (pChEMBL 6.079999923706055)
Descriptors: MW 420.45, ALogP 3.43, HBA 4, HBD 0, PSA 66.92, QED 0.71
Compound (SMILES): O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](S(=O)(=O)c3ccc(F)cc3)CN12
InChIKey: QGEQPBCNUKFZGM-WMLDXEAASA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 879 nM (pChEMBL 6.059999942779541)
Descriptors: MW 444.41, ALogP 3.58, HBA 4, HBD 0, PSA 66.92, QED 0.53
Compound (SMILES): CC(O[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1ccccc1
InChIKey: PWGOFEJFKNIFDS-DEGSQWPTSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 608 nM (pChEMBL 6.21999979019165)
Descriptors: MW 406.4, ALogP 4.75, HBA 3, HBD 0, PSA 42.01, QED 0.72
Compound (SMILES): CCCNC(=O)O[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1
InChIKey: UPTFUBQEXLZBFE-GXTWGEPZSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 883 nM (pChEMBL 6.050000190734863)
Descriptors: MW 387.36, ALogP 3.1, HBA 4, HBD 1, PSA 71.11, QED 0.84
Compound (SMILES): O=C(NCc1ccc(F)cc1)O[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1
InChIKey: SWIGPSCRSVAHTJ-FUHWJXTLSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 481 nM (pChEMBL 6.320000171661377)
Descriptors: MW 453.39, ALogP 4.03, HBA 4, HBD 1, PSA 71.11, QED 0.69
Compound (SMILES): O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](NS(=O)(=O)Cc3ccccc3)CN12
InChIKey: DNOYGOXMEVBJIC-WBVHZDCISA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 454 nM (pChEMBL 6.340000152587891)
Descriptors: MW 455.46, ALogP 3.09, HBA 4, HBD 1, PSA 78.95, QED 0.73
Compound (SMILES): Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CN(c4ccc(OC(F)(F)F)cc4)C(=O)N3C2)cc1
InChIKey: VFHKMAGTHRKEBZ-ZBFHGGJFSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 455.46, ALogP 3.26, HBA 4, HBD 1, PSA 78.95, QED 0.75
Compound (SMILES): CC(C)CS(=O)(=O)N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1
InChIKey: WLROKZSWFFYSGB-OCCSQVGLSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 459 nM (pChEMBL 6.340000152587891)
Descriptors: MW 421.44, ALogP 2.54, HBA 4, HBD 1, PSA 78.95, QED 0.77
Compound (SMILES): O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](NS(=O)(=O)c3cccc(Cl)c3)CN12
InChIKey: XPTWLPPIYWGSNP-HIFRSBDPSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 511 nM (pChEMBL 6.289999961853027)
Descriptors: MW 475.88, ALogP 3.6, HBA 4, HBD 1, PSA 78.95, QED 0.72
Compound (SMILES): O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)CN12
InChIKey: BGQYBFTWRQLWPH-HIFRSBDPSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 362 nM (pChEMBL 6.440000057220459)
Descriptors: MW 475.88, ALogP 3.6, HBA 4, HBD 1, PSA 78.95, QED 0.72
Compound (SMILES): O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](NS(=O)(=O)c3ccccc3F)CN12
InChIKey: OWTIXMFGKYOTLR-OCCSQVGLSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 135 nM (pChEMBL 6.869999885559082)
Descriptors: MW 459.42, ALogP 3.09, HBA 4, HBD 1, PSA 78.95, QED 0.7
Compound (SMILES): O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](NS(=O)(=O)c3cccnc3Cl)CN12
InChIKey: AGLDDPDSCIKKKZ-YPMHNXCESA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 212 nM (pChEMBL 6.670000076293945)
Descriptors: MW 476.86, ALogP 3, HBA 5, HBD 1, PSA 91.84, QED 0.67
Compound (SMILES): O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@@H](NS(=O)(=O)c3ccc[nH]c3=O)CN12
InChIKey: HRXVBRDKMDOSDS-YPMHNXCESA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 594 nM (pChEMBL 6.230000019073486)
Descriptors: MW 458.42, ALogP 1.63, HBA 5, HBD 2, PSA 111.81, QED 0.71
Compound (SMILES): CCCN(C)C(=O)O[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1
InChIKey: JITYMXBXIILAOH-DZGCQCFKSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 828 nM (pChEMBL 6.079999923706055)
Descriptors: MW 401.38, ALogP 3.45, HBA 4, HBD 0, PSA 62.32, QED 0.76
Compound (SMILES): CN(C(=O)O[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1cccc(F)c1
InChIKey: GDUICJCQLDVLNR-FUHWJXTLSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 203 nM (pChEMBL 6.690000057220459)
Descriptors: MW 453.39, ALogP 4.38, HBA 4, HBD 0, PSA 62.32, QED 0.65
Compound (SMILES): O=C(N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1cccc(Cl)c1
InChIKey: OMBMJSWTYLXMOR-ZBFHGGJFSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 548 nM (pChEMBL 6.260000228881836)
Descriptors: MW 439.82, ALogP 4.05, HBA 3, HBD 1, PSA 61.88, QED 0.78
Compound (SMILES): Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CN(c4ccc(OC(F)(F)F)cc4)C(=O)N3C2)cc1
InChIKey: VFHKMAGTHRKEBZ-HOCLYGCPSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 233 nM (pChEMBL 6.630000114440918)
Descriptors: MW 455.46, ALogP 3.26, HBA 4, HBD 1, PSA 78.95, QED 0.75
Compound (SMILES): O=C(N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1ccc(Cl)cc1
InChIKey: VVPDRKOFDBWLHJ-ZBFHGGJFSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 169 nM (pChEMBL 6.769999980926514)
Descriptors: MW 439.82, ALogP 4.05, HBA 3, HBD 1, PSA 61.88, QED 0.78
Compound (SMILES): O=C(N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1ccccc1F
InChIKey: KWOVVKSIZSBMKF-OCCSQVGLSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 489 nM (pChEMBL 6.309999942779541)
Descriptors: MW 423.37, ALogP 3.54, HBA 3, HBD 1, PSA 61.88, QED 0.77
Compound (SMILES): O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@H](NS(=O)(=O)c3ccc(Cl)cc3)CN12
InChIKey: BGQYBFTWRQLWPH-ZFWWWQNUSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 436 nM (pChEMBL 6.360000133514404)
Descriptors: MW 475.88, ALogP 3.6, HBA 4, HBD 1, PSA 78.95, QED 0.72
Compound (SMILES): CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1
InChIKey: BSVABMIZHVJGOW-OCCSQVGLSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 441 nM (pChEMBL 6.360000133514404)
Descriptors: MW 399.41, ALogP 3.52, HBA 3, HBD 1, PSA 61.88, QED 0.84
Compound (SMILES): O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@H](NS(=O)(=O)c3cccnc3Cl)CN12
InChIKey: AGLDDPDSCIKKKZ-AAEUAGOBSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 865 nM (pChEMBL 6.059999942779541)
Descriptors: MW 476.86, ALogP 3, HBA 5, HBD 1, PSA 91.84, QED 0.67
Compound (SMILES): O=C(COc1ccccc1)N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1
InChIKey: KIELZJCNGGHZLE-ZBFHGGJFSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 288 nM (pChEMBL 6.539999961853027)
Descriptors: MW 435.4, ALogP 3.16, HBA 4, HBD 1, PSA 71.11, QED 0.76
Compound (SMILES): CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1
InChIKey: GWIYJKVZURDDBQ-OCCSQVGLSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 591 nM (pChEMBL 6.230000019073486)
Descriptors: MW 415.41, ALogP 2.9, HBA 4, HBD 1, PSA 71.11, QED 0.8
Compound (SMILES): O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@H](NS(=O)(=O)c3cccc(Cl)c3)CN12
InChIKey: XPTWLPPIYWGSNP-ZFWWWQNUSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 514 nM (pChEMBL 6.289999961853027)
Descriptors: MW 475.88, ALogP 3.6, HBA 4, HBD 1, PSA 78.95, QED 0.72
Compound (SMILES): O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@H](NS(=O)(=O)c3ccccc3F)CN12
InChIKey: OWTIXMFGKYOTLR-JSGCOSHPSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 222 nM (pChEMBL 6.650000095367432)
Descriptors: MW 459.42, ALogP 3.09, HBA 4, HBD 1, PSA 78.95, QED 0.7
Compound (SMILES): CC(C)CS(=O)(=O)N[C@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1
InChIKey: WLROKZSWFFYSGB-JSGCOSHPSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 887 nM (pChEMBL 6.050000190734863)
Descriptors: MW 421.44, ALogP 2.54, HBA 4, HBD 1, PSA 78.95, QED 0.77
Compound (SMILES): O=C1N(c2ccc(OC(F)(F)F)cc2)C[C@@H]2C[C@H](NS(=O)(=O)Cc3ccccc3)CN12
InChIKey: DNOYGOXMEVBJIC-RDJZCZTQSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 622 nM (pChEMBL 6.210000038146973)
Descriptors: MW 455.46, ALogP 3.09, HBA 4, HBD 1, PSA 78.95, QED 0.73
Compound (SMILES): CCCC(O)CO[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1
InChIKey: WOLQAMHBUVHCOD-XWDNMSNZSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 635 nM (pChEMBL 6.199999809265137)
Descriptors: MW 388.39, ALogP 3.15, HBA 4, HBD 1, PSA 62.24, QED 0.78
Compound (SMILES): CC(C)CCO[C@H]1C[C@@H]2CN(c3ccc(OCC(F)(F)F)cc3)C(=O)N2C1
InChIKey: FMBFDQZIUNKYPJ-WBVHZDCISA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 543 nM (pChEMBL 6.260000228881836)
Descriptors: MW 386.41, ALogP 4.07, HBA 3, HBD 0, PSA 42.01, QED 0.71
Compound (SMILES): CC(C)CO[C@H]1C[C@@H]2CN(c3ccc(OCC(F)(F)F)cc3)C(=O)N2C1
InChIKey: GGDBCZKYTJATAJ-ZBFHGGJFSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 829 nM (pChEMBL 6.079999923706055)
Descriptors: MW 372.39, ALogP 3.68, HBA 3, HBD 0, PSA 42.01, QED 0.76
Compound (SMILES): O=C1N(c2ccc(OCC(F)(F)F)cc2)C[C@H]2C[C@H](NS(=O)(=O)c3ccccc3Cl)CN12
InChIKey: FWNWACDFVMSRLF-DZGCQCFKSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 305 nM (pChEMBL 6.519999980926514)
Descriptors: MW 489.9, ALogP 3.64, HBA 4, HBD 1, PSA 78.95, QED 0.67
Compound (SMILES): CC(C)CCO[C@@H]1C[C@@H]2CN(c3ccc(OCC(F)(F)F)cc3)C(=O)N2C1
InChIKey: FMBFDQZIUNKYPJ-NVXWUHKLSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 367 nM (pChEMBL 6.429999828338623)
Descriptors: MW 386.41, ALogP 4.07, HBA 3, HBD 0, PSA 42.01, QED 0.71
Compound (SMILES): O=C1N(c2ccc(OCC(F)(F)F)cc2)C[C@H]2C[C@@H](NS(=O)(=O)c3ccccc3Cl)CN12
InChIKey: FWNWACDFVMSRLF-UKRRQHHQSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 877 nM (pChEMBL 6.059999942779541)
Descriptors: MW 489.9, ALogP 3.64, HBA 4, HBD 1, PSA 78.95, QED 0.67
Compound (SMILES): CCCCOC[C@]1(O)C[C@H]2CN(c3ccc(OCC(F)(F)F)cc3)C(=O)N2C1
InChIKey: AWKPZERTJIRDMZ-YJBOKZPZSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 834 nM (pChEMBL 6.079999923706055)
Descriptors: MW 402.41, ALogP 3.19, HBA 4, HBD 1, PSA 62.24, QED 0.68
Compound (SMILES): CCOC[C@]1(O)C[C@H]2CN(c3ccc(OCC(F)(F)F)cc3)C(=O)N2C1
InChIKey: FETPZWYPMFYBTB-BBRMVZONSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 298 nM (pChEMBL 6.53000020980835)
Descriptors: MW 374.36, ALogP 2.41, HBA 4, HBD 1, PSA 62.24, QED 0.83
Compound (SMILES): O=C1N(c2ccc(OCC(F)(F)F)cc2)C[C@@H]2C[C@@](O)(COCC(F)(F)F)CN12
InChIKey: WASHSTOVADCPRC-WFASDCNBSA-N
Target: Hormone-sensitive lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q05469
Assay: Colorimetric Assay: Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
Measurement: IC50 = 43.2 nM (pChEMBL 7.369999885559082)
Descriptors: MW 428.33, ALogP 2.95, HBA 4, HBD 1, PSA 62.24, QED 0.71
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: MKXUOJJCQVPIMD-BHGWPJFGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 377.38, ALogP 2.4, HBA 6, HBD 2, PSA 110.56, QED 0.42
Compound (SMILES): CC/N=N/C(C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: UMTMBOVDABSTIX-OCOZRVBESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 362.41, ALogP 4.54, HBA 6, HBD 0, PSA 67.8, QED 0.49
Compound (SMILES): CC(=O)N/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: RKAUSQFLQYFIDB-WYMPLXKRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 376.39, ALogP 2.87, HBA 6, HBD 1, PSA 84.54, QED 0.44
Compound (SMILES): CC(/N=N/c1ccccc1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: REKPRQTZCBIEQC-ZQHSETAFSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 267 nM (pChEMBL 6.570000171661377)
Descriptors: MW 410.46, ALogP 5.85, HBA 6, HBD 0, PSA 67.8, QED 0.34
Compound (SMILES): CC(/N=N/c1ccccn1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: NYJXSYHUDLNAMK-ZQHSETAFSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 411.44, ALogP 5.25, HBA 7, HBD 0, PSA 80.69, QED 0.37
Compound (SMILES): C/C(=N\NC(=O)Nc1ccccc1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: IOSGPOXPNAWPKU-OKCVXOCRSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 83 nM (pChEMBL 7.079999923706055)
Descriptors: MW 453.48, ALogP 4.55, HBA 6, HBD 2, PSA 96.57, QED 0.3
Compound (SMILES): C/C(=N\NC(=O)Nc1ccc(Cl)cc1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: UWYUXKLLFQLEBF-IBBHUPRXSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 2453 nM (pChEMBL 5.610000133514404)
Descriptors: MW 487.93, ALogP 5.21, HBA 6, HBD 2, PSA 96.57, QED 0.26
Compound (SMILES): C/C(=N\N(C)C(N)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: XTJLRYYBZQMAFB-BRJLIKDPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 391.41, ALogP 2.74, HBA 6, HBD 1, PSA 101.77, QED 0.43
Compound (SMILES): CNC(=O)N(C)/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: WXDWSQSJAGZLBV-LGJNPRDNSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 61 nM (pChEMBL 7.210000038146973)
Descriptors: MW 405.44, ALogP 3, HBA 6, HBD 1, PSA 87.78, QED 0.42
Compound (SMILES): CC(/N=N/c1nc2ccccc2o1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: HUTSVBOMRAFHBX-NVQSTNCTSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 590 nM (pChEMBL 6.230000019073486)
Descriptors: MW 451.47, ALogP 5.99, HBA 8, HBD 0, PSA 93.83, QED 0.3
Compound (SMILES): C/C(=N\NS(C)(=O)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: LMTPQCKZIGFUOK-FSJBWODESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 412.45, ALogP 2.28, HBA 7, HBD 1, PSA 101.61, QED 0.4
Compound (SMILES): CCNC(=S)N/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: YRYKEPNHIUHBSX-LGJNPRDNSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 421.51, ALogP 3.22, HBA 6, HBD 2, PSA 79.5, QED 0.29
Compound (SMILES): C/C(=N\NC(=S)NCc1ccccc1)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: RNPYQHQTIMBRHN-KBVAKVRCSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 932 nM (pChEMBL 6.03000020980835)
Descriptors: MW 483.58, ALogP 4.4, HBA 6, HBD 2, PSA 79.5, QED 0.21
Compound (SMILES): C/C(=N\NC(N)=S)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1
InChIKey: AYRPALIPCUTNCL-BHGWPJFGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 393.45, ALogP 2.56, HBA 6, HBD 2, PSA 93.49, QED 0.31
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1
InChIKey: RYZLDDPPUZHYQQ-FSJBWODESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 359.39, ALogP 2.26, HBA 6, HBD 2, PSA 110.56, QED 0.43
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(Cc3c(F)cc4ncccc4c3F)n2n1
InChIKey: RPSDNGJPBQUTLC-KIBLKLHPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 395.37, ALogP 2.54, HBA 6, HBD 2, PSA 110.56, QED 0.41
Compound (SMILES): C/C(=N\N(C)C(N)=O)c1ccc2ncc(Cc3c(F)cc4ncccc4c3F)n2n1
InChIKey: CQEJEHFONIQJCK-KBKYJPHKSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 409.4, ALogP 2.88, HBA 6, HBD 1, PSA 101.77, QED 0.41
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(C(O)c3cc4cccnc4cc3F)n2n1
InChIKey: PDJSGQQCEMPUAQ-YSURURNPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 393.38, ALogP 1.89, HBA 7, HBD 3, PSA 130.79, QED 0.36
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(C(O)c3ccc4ncccc4c3)n2n1
InChIKey: ODNOCEBSNHDUMR-FOKLQQMPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 375.39, ALogP 1.75, HBA 7, HBD 3, PSA 130.79, QED 0.37
Compound (SMILES): C/C(=N\N(C)C(N)=O)c1ccc2ncc(C(O)c3cc4cccnc4cc3F)n2n1
InChIKey: ZQYTVOBQBFGOMW-OPEKNORGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 159 nM (pChEMBL 6.800000190734863)
Descriptors: MW 407.41, ALogP 2.23, HBA 7, HBD 2, PSA 122, QED 0.4
Compound (SMILES): C/C(=N\NC(N)=O)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: LPOFILQRZWDFHB-YCPBAFNGSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 411.37, ALogP 2.03, HBA 7, HBD 3, PSA 130.79, QED 0.35
Compound (SMILES): C/C(=N\N(C)C(N)=O)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1
InChIKey: GVZDSDIQCOOLMF-NSKAYECMSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 425.4, ALogP 2.37, HBA 7, HBD 2, PSA 122, QED 0.38