lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CN1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)CN(CC2CCCCC2)c2ccccc21
InChIKey: LGYDHDLDRBAGSY-JWQCQUIFSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 188 nM (pChEMBL 6.730000019073486)
Descriptors: MW 552.69, ALogP 4.81, HBA 5, HBD 2, PSA 90.98, QED 0.51
Compound (SMILES): CN1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)CN(Cc2ccccc2)c2ccccc21
InChIKey: TYLQJNXEEPKAOZ-JWQCQUIFSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 546.64, ALogP 4.43, HBA 5, HBD 2, PSA 90.98, QED 0.46
Compound (SMILES): CC(C)(C)OC(=O)N[C@H](Cc1ccccc1F)C(=O)N[C@@H]1CN(CC2CC2)c2ccccc2N(CC(F)(F)F)C1=O
InChIKey: HEGQFLXCXVPNJB-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 101 nM (pChEMBL 7)
Descriptors: MW 578.61, ALogP 4.57, HBA 5, HBD 2, PSA 90.98, QED 0.45
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)CN(CC2CC2)c2ccccc21
InChIKey: JAILSWWOYIPNQK-DNQXCXABSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 102 nM (pChEMBL 6.989999771118164)
Descriptors: MW 538.66, ALogP 4.42, HBA 5, HBD 2, PSA 90.98, QED 0.52
Compound (SMILES): CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CN(CC2CC2)c2ccccc2N(CC(F)(F)F)C1=O
InChIKey: GJWICHQWPXNIIA-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 560.62, ALogP 4.43, HBA 5, HBD 2, PSA 90.98, QED 0.5
Compound (SMILES): CC(C)(C)OC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CN(CC2CC2)c2ccccc2N(CC(F)(F)F)C1=O
InChIKey: RBLWSRSMZMCJNO-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 142 nM (pChEMBL 6.849999904632568)
Descriptors: MW 578.61, ALogP 4.57, HBA 5, HBD 2, PSA 90.98, QED 0.45
Compound (SMILES): CC(C)(C)OC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1CN(CC2CC2)c2ccccc2N(CC(F)(F)F)C1=O
InChIKey: IHGLQJAFQRVZAT-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 219 nM (pChEMBL 6.659999847412109)
Descriptors: MW 578.61, ALogP 4.57, HBA 5, HBD 2, PSA 90.98, QED 0.45
Compound (SMILES): CC(C)(C)OC(=O)N[C@H](Cc1ccc(F)cc1F)C(=O)N[C@@H]1CN(CC2CC2)c2ccccc2N(CC(F)(F)F)C1=O
InChIKey: FWUGXGAGXFYROY-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 185 nM (pChEMBL 6.730000019073486)
Descriptors: MW 596.6, ALogP 4.71, HBA 5, HBD 2, PSA 90.98, QED 0.43
Compound (SMILES): CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)N[C@@H]1CN(CC2CC2)c2ccccc2N(CC(F)(F)F)C1=O
InChIKey: RNMVVTGLKPNLDF-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 131 nM (pChEMBL 6.880000114440918)
Descriptors: MW 628.61, ALogP 5.45, HBA 5, HBD 2, PSA 90.98, QED 0.38
Compound (SMILES): CC(C)(C)OC(=O)N[C@H](Cc1ccccc1OC(F)(F)F)C(=O)N[C@@H]1CN(CC2CC2)c2ccccc2N(CC(F)(F)F)C1=O
InChIKey: BBMZSBVXKAUIFI-NHCUHLMSSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 73 nM (pChEMBL 7.139999866485596)
Descriptors: MW 644.61, ALogP 5.33, HBA 6, HBD 2, PSA 100.21, QED 0.36
Compound (SMILES): CC(C)(C)OC(=O)N[C@H](Cc1cc(C(F)(F)F)ccc1C(F)(F)F)C(=O)N[C@@H]1CN(CC2CC2)c2ccccc2N(CC(F)(F)F)C1=O
InChIKey: LLWVLAJGZICRCK-FGZHOGPDSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 696.61, ALogP 6.47, HBA 5, HBD 2, PSA 90.98, QED 0.31
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CN(CC2CC2)c2ccccc21
InChIKey: YWAMPHXTVIKHNU-DNQXCXABSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 520.67, ALogP 4.28, HBA 5, HBD 2, PSA 90.98, QED 0.54
Compound (SMILES): CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc2ccccc2o1
InChIKey: PDQPKFKGQOJWGZ-UHFFFAOYSA-N
Target: C-X-C chemokine receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25025
Assay: Inhibition of CXCR2
Measurement: IC50 = 3.5 nM (pChEMBL 8.460000038146973)
Descriptors: MW 433.46, ALogP 3.74, HBA 7, HBD 3, PSA 111.88, QED 0.3
Compound (SMILES): CC(C)(C)c1ccc(NC(=O)c2ccc(OC(F)(F)C(F)F)cc2)cc1
InChIKey: IKKCTHGLTLYMQO-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 369.36, ALogP 5.47, HBA 2, HBD 1, PSA 38.33, QED 0.71
Compound (SMILES): Cn1c2c(c3cc(O)ccc31)C(CNC(=O)c1ccc(OC(F)(F)F)cc1)CCC2
InChIKey: UMHVOYZISKMPIT-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 418.42, ALogP 4.63, HBA 4, HBD 2, PSA 63.49, QED 0.65
Compound (SMILES): CC(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(O)c2ccc(O)cc12
InChIKey: WAHHWDHVECYZHQ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 405.37, ALogP 4.68, HBA 4, HBD 3, PSA 78.79, QED 0.58
Compound (SMILES): O=C(Nc1ccc(I)cc1)c1ccc(C(=O)C(F)(F)F)cc1
InChIKey: WGCIJYPPGNCWFC-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 790 nM (pChEMBL 6.099999904632568)
Descriptors: MW 419.14, ALogP 4.29, HBA 2, HBD 1, PSA 46.17, QED 0.6
Compound (SMILES): CCC(c1ccccn1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
InChIKey: QAIUYSBGZBVEPC-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 350.21, ALogP 3.46, HBA 3, HBD 2, PSA 78.61, QED 0.71
Compound (SMILES): CC(=O)c1ccc(C(=O)Nc2ccc(I)cc2)cc1
InChIKey: HXDMLFRKCRCPTO-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 365.17, ALogP 3.75, HBA 2, HBD 1, PSA 46.17, QED 0.67
Compound (SMILES): O=C(Nc1ccc(I)cc1)c1ccc(OC(F)(F)F)cc1
InChIKey: IUHUCVXLTXIWPU-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 407.13, ALogP 4.44, HBA 2, HBD 1, PSA 38.33, QED 0.76
Compound (SMILES): O=C(Nc1ccc(I)cc1)c1ccc(C(F)(F)F)cc1
InChIKey: VTVLWVLMDYRPGZ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 330 nM (pChEMBL 6.480000019073486)
Descriptors: MW 391.13, ALogP 4.56, HBA 1, HBD 1, PSA 29.1, QED 0.75
Compound (SMILES): O=C(Nc1ccc(I)cc1)c1cccc(C(F)(F)F)c1
InChIKey: XWJZBDCFMQBJRG-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 391.13, ALogP 4.56, HBA 1, HBD 1, PSA 29.1, QED 0.75
Compound (SMILES): O=C(Nc1ccc(I)cc1)c1ccccc1C(F)(F)F
InChIKey: UXYCHXFSCZPVCY-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 391.13, ALogP 4.56, HBA 1, HBD 1, PSA 29.1, QED 0.75
Compound (SMILES): CS(=O)(=O)c1ccc(C(=O)Nc2ccc(I)cc2)cc1
InChIKey: HJFXEQAJITVZJI-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 401.23, ALogP 2.95, HBA 3, HBD 1, PSA 63.24, QED 0.81
Compound (SMILES): CC(C)(C)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1
InChIKey: CAYRUALOKFMCPR-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 337.34, ALogP 5.14, HBA 2, HBD 1, PSA 38.33, QED 0.84
Compound (SMILES): CC(C)(C)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIKey: HZCDZHJWDCXUHT-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 220 nM (pChEMBL 6.659999847412109)
Descriptors: MW 321.34, ALogP 5.26, HBA 1, HBD 1, PSA 29.1, QED 0.8
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2cccc(F)c2)NC(=O)OC(C)(C)C)CN(CC2CC2)c2ccccc21
InChIKey: BKLPMGFIXKCEOE-DNQXCXABSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 96 nM (pChEMBL 7.019999980926514)
Descriptors: MW 538.66, ALogP 4.42, HBA 5, HBD 2, PSA 90.98, QED 0.52
Compound (SMILES): CC(C)(C)c1ccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)cc1
InChIKey: FJCXWFMCAVFBFB-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 351.37, ALogP 5.18, HBA 2, HBD 1, PSA 38.33, QED 0.82
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)OC(C)(C)C)CN(CC2CC2)c2ccccc21
InChIKey: GEEJZAFVZDXTOW-DNQXCXABSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 196 nM (pChEMBL 6.710000038146973)
Descriptors: MW 538.66, ALogP 4.42, HBA 5, HBD 2, PSA 90.98, QED 0.52
Compound (SMILES): O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1
InChIKey: KMPOQEXYEUBVOQ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 220 nM (pChEMBL 6.659999847412109)
Descriptors: MW 349.23, ALogP 4.86, HBA 2, HBD 1, PSA 38.33, QED 0.8
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2c(F)cccc2F)NC(=O)OC(C)(C)C)CN(CC2CC2)c2ccccc21
InChIKey: PKXNOMQKFVMHAW-DNQXCXABSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 97 nM (pChEMBL 7.010000228881836)
Descriptors: MW 556.65, ALogP 4.56, HBA 5, HBD 2, PSA 90.98, QED 0.5
Compound (SMILES): O=C(Nc1ccc2c(c1)CCC2)c1ccc(OC(F)(F)F)cc1
InChIKey: IISMKYYEHUKJMC-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 321.3, ALogP 4.33, HBA 2, HBD 1, PSA 38.33, QED 0.91
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2C(F)(F)F)NC(=O)OC(C)(C)C)CN(CC2CC2)c2ccccc21
InChIKey: QFVSEVLCFPHIDR-DNQXCXABSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 149 nM (pChEMBL 6.829999923706055)
Descriptors: MW 588.67, ALogP 5.3, HBA 5, HBD 2, PSA 90.98, QED 0.44
Compound (SMILES): CC(C)(C)c1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc(C(C)(C)C)c1
InChIKey: LGAINSUTIJFQHD-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 393.45, ALogP 6.43, HBA 2, HBD 1, PSA 38.33, QED 0.65
Compound (SMILES): CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)CN(CC2CC2)c2ccccc21
InChIKey: HZYKVQMNBASERA-DHIUTWEWSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
Measurement: IC50 = 75 nM (pChEMBL 7.119999885559082)
Descriptors: MW 604.67, ALogP 5.18, HBA 6, HBD 2, PSA 100.21, QED 0.41
Compound (SMILES): O=C(Nc1ccc(C2CCCCC2)cc1)c1ccc(OC(F)(F)F)cc1
InChIKey: ZDQVKBCIMJJPJO-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 363.38, ALogP 5.89, HBA 2, HBD 1, PSA 38.33, QED 0.74
Compound (SMILES): O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(OC(F)(F)F)cc1
InChIKey: MUAOHEWIYVOALP-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 357.33, ALogP 5.5, HBA 2, HBD 1, PSA 38.33, QED 0.67
Compound (SMILES): CC(C)(C)c1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)cc1
InChIKey: TWEWYBJFESDQMP-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 253 nM (pChEMBL 6.599999904632568)
Descriptors: MW 353.41, ALogP 5.85, HBA 2, HBD 1, PSA 29.1, QED 0.7
Compound (SMILES): O=C(Nc1ccc(I)cc1)Nc1ccc(C(F)(F)F)cc1
InChIKey: JKDKKHMTBHDGLU-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 406.14, ALogP 4.95, HBA 1, HBD 2, PSA 41.13, QED 0.68
Compound (SMILES): CC(C)(C)c1ccc(CC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIKey: IBHNTBDRUPKYHZ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 320.35, ALogP 5.43, HBA 1, HBD 0, PSA 17.07, QED 0.69
Compound (SMILES): CC(C)(C)c1ccc(C(N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1
InChIKey: RTQODFAILKVOPH-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 351.37, ALogP 4.77, HBA 3, HBD 1, PSA 52.32, QED 0.81
Compound (SMILES): CC(C)(C)c1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cc2)cc1
InChIKey: YYTBACZQUDIKTH-FOWTUZBSSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 329.37, ALogP 6.07, HBA 1, HBD 0, PSA 23.79, QED 0.48
Compound (SMILES): CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(C(C)(C)C)cc1
InChIKey: DNBMVWQGNNBBFF-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 351.37, ALogP 5.16, HBA 2, HBD 0, PSA 29.54, QED 0.76
Compound (SMILES): O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(I)cc1
InChIKey: GYJFUHZWIDBLAA-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 391.13, ALogP 4.56, HBA 1, HBD 1, PSA 29.1, QED 0.75
Compound (SMILES): FC(F)(F)c1ccc(-c2ncc(-c3ccc(Br)cc3)[nH]2)cc1
InChIKey: RZFBFYLZQIRIGP-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 367.17, ALogP 5.53, HBA 1, HBD 1, PSA 28.68, QED 0.63
Compound (SMILES): CC(C)(C)c1ccc(-n2nnc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIKey: LWUQGENLMSVQPX-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 346.36, ALogP 4.65, HBA 4, HBD 0, PSA 43.6, QED 0.68
Compound (SMILES): CC(C)(C)c1ccc(-c2cc3cc(C(C)(C)C)ccc3[nH]2)cc1
InChIKey: PBUKGCUQLQWIQX-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 305.47, ALogP 6.43, HBA 0, HBD 1, PSA 15.79, QED 0.53
Compound (SMILES): FC(F)C(F)(F)Oc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1
InChIKey: IYLJYEOYSWMMOI-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 389.15, ALogP 5.23, HBA 2, HBD 1, PSA 37.91, QED 0.62
Compound (SMILES): CC(C)(C)c1ccc2[nH]c(-c3ccc(OC(F)(F)C(F)F)cc3)nc2c1
InChIKey: HHHJUTSVZVJDHK-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 477 nM (pChEMBL 6.320000171661377)
Descriptors: MW 366.36, ALogP 5.76, HBA 2, HBD 1, PSA 37.91, QED 0.6
Compound (SMILES): CC(C)(C)c1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1
InChIKey: XCKAYKKBMJSIHM-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 1420 nM (pChEMBL 5.849999904632568)
Descriptors: MW 334.34, ALogP 5.43, HBA 2, HBD 1, PSA 37.91, QED 0.68
Compound (SMILES): CC(C)(C)C1CCC(c2nc3cc(OC(F)(F)F)ccc3[nH]2)CC1
InChIKey: DGGBFXCHUUBZED-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 4970 nM (pChEMBL 5.300000190734863)
Descriptors: MW 340.39, ALogP 5.78, HBA 2, HBD 1, PSA 37.91, QED 0.75
Compound (SMILES): O=C(NCCc1c[nH]c2ccccc12)c1ccc(OC(F)(F)F)cc1
InChIKey: AYBQHQMSAIQAFG-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 7350 nM (pChEMBL 5.130000114440918)
Descriptors: MW 348.32, ALogP 4.04, HBA 2, HBD 2, PSA 54.12, QED 0.73
Compound (SMILES): O=C(NCCc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1
InChIKey: DLNMLPGZHDNQEL-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 4230 nM (pChEMBL 5.369999885559082)
Descriptors: MW 332.32, ALogP 4.16, HBA 1, HBD 2, PSA 44.89, QED 0.74
Compound (SMILES): Cn1cc(CCNC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIKey: FCLFKPWGFGPCSJ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 346.35, ALogP 4.17, HBA 2, HBD 1, PSA 34.03, QED 0.76
Compound (SMILES): COc1ccc2[nH]cc(CCNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1
InChIKey: SCXXRSCFHQBOGB-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 1310 nM (pChEMBL 5.880000114440918)
Descriptors: MW 378.35, ALogP 4.05, HBA 3, HBD 2, PSA 63.35, QED 0.68
Compound (SMILES): COc1ccc2[nH]cc(CCNC(=O)c3ccc(C(F)(F)F)cc3)c2c1
InChIKey: RBLVHWPUPNHHDE-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 2090 nM (pChEMBL 5.679999828338623)
Descriptors: MW 362.35, ALogP 4.17, HBA 2, HBD 2, PSA 54.12, QED 0.72
Compound (SMILES): COc1ccc2[nH]cc(CCNC(=O)c3ccc(OC(F)(F)C(F)F)cc3)c2c1
InChIKey: AIGNOHAPRJHNHK-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 1640 nM (pChEMBL 5.789999961853027)
Descriptors: MW 410.37, ALogP 4.39, HBA 3, HBD 2, PSA 63.35, QED 0.54
Compound (SMILES): O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccc(OC(F)(F)F)cc1
InChIKey: ASBDDVHJXRXKJW-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 1730 nM (pChEMBL 5.760000228881836)
Descriptors: MW 364.32, ALogP 3.74, HBA 3, HBD 3, PSA 74.35, QED 0.65
Compound (SMILES): Cc1ccn2ncnc(Oc3ccc(NC(=O)c4ccccc4F)cc3F)c12
InChIKey: JXKVGKILBZAJFI-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 760 nM (pChEMBL 6.119999885559082)
Descriptors: MW 380.35, ALogP 4.36, HBA 5, HBD 1, PSA 68.52, QED 0.57
Compound (SMILES): Cc1c(OCCN2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4ccccc4F)cc3F)c12
InChIKey: XVHNAGNSEXZDNC-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 90 nM (pChEMBL 7.050000190734863)
Descriptors: MW 522.56, ALogP 3.99, HBA 8, HBD 1, PSA 84.23, QED 0.37
Compound (SMILES): Cc1c(OCCN2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4cc(F)ccc4F)cc3F)c12
InChIKey: BLAYOGMXAWDIJF-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 540.55, ALogP 4.13, HBA 8, HBD 1, PSA 84.23, QED 0.36
Compound (SMILES): Cc1c(OCCN2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4c(F)cccc4F)cc3F)c12
InChIKey: RIBBCWWZYMCWOO-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 540.55, ALogP 4.13, HBA 8, HBD 1, PSA 84.23, QED 0.36
Compound (SMILES): Cc1ccc(F)c(C(=O)Nc2ccc(Oc3ncnn4cc(OCCN5CCN(C)CC5)c(C)c34)c(F)c2)c1
InChIKey: FWNHQACWPUSEBW-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 90 nM (pChEMBL 7.050000190734863)
Descriptors: MW 536.58, ALogP 4.3, HBA 8, HBD 1, PSA 84.23, QED 0.36
Compound (SMILES): CC(=O)c1cccc(C(=O)Nc2ccc(Oc3ncnn4cc(OCCN5CCN(C)CC5)c(C)c34)c(F)c2)c1
InChIKey: WTRBLDMEOQKMME-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 90 nM (pChEMBL 7.050000190734863)
Descriptors: MW 546.6, ALogP 4.05, HBA 9, HBD 1, PSA 101.3, QED 0.31
Compound (SMILES): O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(OC(F)(F)F)cc1
InChIKey: WYBZVIYSYASMKP-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 3720 nM (pChEMBL 5.429999828338623)
Descriptors: MW 382.77, ALogP 4.69, HBA 2, HBD 2, PSA 54.12, QED 0.67
Compound (SMILES): Cc1c(OCCN2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4cc(Cl)ccc4F)cc3F)c12
InChIKey: KCYZNDKWNWMPGJ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 557, ALogP 4.64, HBA 8, HBD 1, PSA 84.23, QED 0.34
Compound (SMILES): CC(C)(C)c1ccc2[nH]cc(CCNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1
InChIKey: UKIPKXUMFGCPIQ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 404.43, ALogP 5.34, HBA 2, HBD 2, PSA 54.12, QED 0.6
Compound (SMILES): Cc1c(OCCN2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4cccnc4)cc3F)c12
InChIKey: VONPMQHGBZMIQD-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 505.55, ALogP 3.24, HBA 9, HBD 1, PSA 97.12, QED 0.39
Compound (SMILES): O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(OC(F)(F)F)cc1
InChIKey: KKNXLXURTFSILT-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 2620 nM (pChEMBL 5.579999923706055)
Descriptors: MW 366.31, ALogP 4.18, HBA 2, HBD 2, PSA 54.12, QED 0.67
Compound (SMILES): Cc1c(OCCN2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4cccs4)cc3F)c12
InChIKey: GWJJSPXDFYUKDS-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 510.6, ALogP 3.91, HBA 9, HBD 1, PSA 84.23, QED 0.38
Compound (SMILES): O=C(NCCc1c(Cl)cccc1Cl)c1ccc(OC(F)(F)F)cc1
InChIKey: DTYPHLFPAYZOQQ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 205 nM (pChEMBL 6.690000057220459)
Descriptors: MW 378.18, ALogP 4.86, HBA 2, HBD 1, PSA 38.33, QED 0.81
Compound (SMILES): Cc1ccc(F)c(C(=O)Nc2ccc(Oc3ncnn4cc(OCCN5CCOCC5)c(C)c34)c(F)c2)c1
InChIKey: GXNJVTWXIDPNSY-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 523.54, ALogP 4.38, HBA 8, HBD 1, PSA 90.22, QED 0.37
Compound (SMILES): Cc1c(OCCCN(C)C)cn2ncnc(Oc3ccc(NC(=O)c4c(F)cccc4F)cc3F)c12
InChIKey: FGBUUKMIHXTQQT-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 499.49, ALogP 4.83, HBA 7, HBD 1, PSA 80.99, QED 0.33
Compound (SMILES): O=C(NCCc1ccccc1Cl)c1ccc(OC(F)(F)F)cc1
InChIKey: VEMICVMDQMTCNQ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 776 nM (pChEMBL 6.110000133514404)
Descriptors: MW 343.73, ALogP 4.21, HBA 2, HBD 1, PSA 38.33, QED 0.88
Compound (SMILES): Cc1c(OCCCN(C)C)cn2ncnc(Oc3ccc(NC(=O)c4cccnc4)cc3F)c12
InChIKey: LYUZVGOQWISIPF-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 464.5, ALogP 3.95, HBA 8, HBD 1, PSA 93.88, QED 0.38
Compound (SMILES): Cc1ccn2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12
InChIKey: BJJWDEPCHGGZCH-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of Met kinase
Measurement: IC50 = 780 nM (pChEMBL 6.110000133514404)
Descriptors: MW 437.41, ALogP 4.08, HBA 6, HBD 2, PSA 97.62, QED 0.44
Compound (SMILES): O=C(NCCc1cccc(Cl)c1)c1ccc(OC(F)(F)F)cc1
InChIKey: QNCXXMPFKYIUIY-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 343.73, ALogP 4.21, HBA 2, HBD 1, PSA 38.33, QED 0.88
Compound (SMILES): Cc1c(OCCN2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12
InChIKey: IAVWXGZIULVTLN-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 579.61, ALogP 3.7, HBA 9, HBD 2, PSA 113.33, QED 0.27
Compound (SMILES): O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(OC(F)(F)F)cc1
InChIKey: OFTCRLPSTWMOTG-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 2560 nM (pChEMBL 5.590000152587891)
Descriptors: MW 378.18, ALogP 4.86, HBA 2, HBD 1, PSA 38.33, QED 0.81
Compound (SMILES): Cc1c(OCCN2CCOCC2)cn2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12
InChIKey: QTEFLIXPCHNEHB-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 566.57, ALogP 3.79, HBA 9, HBD 2, PSA 119.32, QED 0.28
Compound (SMILES): O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccc(OC(F)(F)F)cc1
InChIKey: CKGNIXNTCMKIEJ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 3700 nM (pChEMBL 5.429999828338623)
Descriptors: MW 378.18, ALogP 4.86, HBA 2, HBD 1, PSA 38.33, QED 0.81
Compound (SMILES): Cc1c(OCCN(C)C)cn2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12
InChIKey: HWOXQSUVADVKLF-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 524.53, ALogP 4.02, HBA 8, HBD 2, PSA 110.09, QED 0.3
Compound (SMILES): Cc1c(OCCCN(C)C)cn2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12
InChIKey: NHDPKNXRQJKSBS-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 538.56, ALogP 4.41, HBA 8, HBD 2, PSA 110.09, QED 0.22
Compound (SMILES): Cc1c(OCCN2CCN(C)CC2)cn2ncnc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12
InChIKey: JGKKVHUMEAYNGF-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 579.61, ALogP 3.63, HBA 9, HBD 2, PSA 113.33, QED 0.31
Compound (SMILES): Cc1c(OCCN(C)C)cn2ncnc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12
InChIKey: XBLYKDYWBVOKLN-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 524.53, ALogP 3.94, HBA 8, HBD 2, PSA 110.09, QED 0.34
Compound (SMILES): Cc1c(OCCCN(C)C)cn2ncnc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12
InChIKey: LTJJQWUFSHDXIN-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 538.56, ALogP 4.33, HBA 8, HBD 2, PSA 110.09, QED 0.29
Compound (SMILES): O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(Cl)c23)c(F)c1
InChIKey: KIOMLSKUXPYSLZ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 457.82, ALogP 4.34, HBA 6, HBD 2, PSA 97.62, QED 0.46
Compound (SMILES): O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(-c4ccccc4)c23)c(F)c1
InChIKey: PWLNNRDAQPANDX-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 499.48, ALogP 5.36, HBA 6, HBD 2, PSA 97.62, QED 0.33
Compound (SMILES): NCCCNCc1ccn2ncnc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12
InChIKey: MPFHXHMMZKGSSL-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 509.52, ALogP 3.13, HBA 8, HBD 4, PSA 135.67, QED 0.24
Compound (SMILES): O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(CN4CCNCC4)c23)c(F)c1
InChIKey: VSHBKTLTOHLWDO-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 410 nM (pChEMBL 6.389999866485596)
Descriptors: MW 521.53, ALogP 3.1, HBA 8, HBD 3, PSA 112.89, QED 0.34
Compound (SMILES): CN1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1
InChIKey: XMTAJBTUPLHEDT-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 860 nM (pChEMBL 6.070000171661377)
Descriptors: MW 535.56, ALogP 3.44, HBA 8, HBD 2, PSA 104.1, QED 0.37
Compound (SMILES): O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(CN4CCOCC4)c23)c(F)c1
InChIKey: DAUNYOFBILOYNT-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 990 nM (pChEMBL 6)
Descriptors: MW 522.51, ALogP 3.52, HBA 8, HBD 2, PSA 110.09, QED 0.38
Compound (SMILES): N[C@@H]1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)C1
InChIKey: PVXNNCDQTCGDOV-LJQANCHMSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 440 nM (pChEMBL 6.360000133514404)
Descriptors: MW 521.53, ALogP 3.22, HBA 8, HBD 3, PSA 126.88, QED 0.34
Compound (SMILES): N[C@H]1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)C1
InChIKey: PVXNNCDQTCGDOV-IBGZPJMESA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 521.53, ALogP 3.22, HBA 8, HBD 3, PSA 126.88, QED 0.34
Compound (SMILES): NCC1CN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)C1
InChIKey: FIGRHFKKEQZCFS-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 521.53, ALogP 3.08, HBA 8, HBD 3, PSA 126.88, QED 0.33
Compound (SMILES): NC1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1
InChIKey: YQQFRBUHZZNTGY-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 535.56, ALogP 3.61, HBA 8, HBD 3, PSA 126.88, QED 0.33
Compound (SMILES): O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(CN4CCC(O)CC4)c23)c(F)c1
InChIKey: PEXLOCWUDPQMOT-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 900 nM (pChEMBL 6.050000190734863)
Descriptors: MW 536.54, ALogP 3.65, HBA 8, HBD 3, PSA 121.09, QED 0.33
Compound (SMILES): CC(=O)NC1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1
InChIKey: JTZCINZNRFOJCN-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 440 nM (pChEMBL 6.360000133514404)
Descriptors: MW 577.59, ALogP 3.79, HBA 8, HBD 3, PSA 129.96, QED 0.29
Compound (SMILES): O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(CNC4CCNCC4)c23)c(F)c1
InChIKey: YMVDFYNERAZVFU-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 535.56, ALogP 3.53, HBA 8, HBD 4, PSA 121.68, QED 0.27
Compound (SMILES): NCC1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1
InChIKey: VRXCVXPQSXIQRY-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 549.58, ALogP 3.86, HBA 8, HBD 3, PSA 126.88, QED 0.3
Compound (SMILES): N[C@@H]1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)C[C@H]1O
InChIKey: DRUPVGBBYMYKJN-FGZHOGPDSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 551.55, ALogP 2.58, HBA 9, HBD 4, PSA 147.11, QED 0.27
Compound (SMILES): NC1CCC(=Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1
InChIKey: RZBUEYNQBUDJSK-LGMDPLHJSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
Measurement: IC50 = 1.5 nM (pChEMBL 8.819999694824219)
Descriptors: MW 532.55, ALogP 4.98, HBA 7, HBD 3, PSA 123.64, QED 0.32
Compound (SMILES): COc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4ccccc4)cc3)c2c1
InChIKey: DSZNGEKRTSTCNN-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 370.45, ALogP 4.82, HBA 2, HBD 2, PSA 54.12, QED 0.51
Compound (SMILES): COc1ccc2[nH]cc(CCNC(=O)c3ccc(Oc4ccccc4)cc3)c2c1
InChIKey: XWTOPMFNGKJQHR-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 1890 nM (pChEMBL 5.71999979019165)
Descriptors: MW 386.45, ALogP 4.94, HBA 3, HBD 2, PSA 63.35, QED 0.47
Compound (SMILES): COc1ccc2[nH]cc(CCNC(=O)c3ccc(C4CCCCC4)cc3)c2c1
InChIKey: IOZCBIRNKGBERF-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 1160 nM (pChEMBL 5.940000057220459)
Descriptors: MW 376.5, ALogP 5.2, HBA 2, HBD 2, PSA 54.12, QED 0.62
Compound (SMILES): COc1ccc2[nH]cc(CCNC(=O)c3ccc(CC(C)C)cc3)c2c1
InChIKey: VODAWNKTZVGHSA-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 3430 nM (pChEMBL 5.460000038146973)
Descriptors: MW 350.46, ALogP 4.35, HBA 2, HBD 2, PSA 54.12, QED 0.67
Compound (SMILES): COc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4ccncc4)cc3)c2c1
InChIKey: XOOCRNKBNCGFRN-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 371.44, ALogP 4.21, HBA 3, HBD 2, PSA 67.01, QED 0.53
Compound (SMILES): COc1ccc2[nH]cc(CCNC(=O)c3ccc(OCCN(C)C)cc3)c2c1
InChIKey: NLKOSNYWNPQYBF-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 381.48, ALogP 3.09, HBA 4, HBD 2, PSA 66.59, QED 0.6
Compound (SMILES): COc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4ccccc4)nc3)c2c1
InChIKey: GYCNADMMNFABKK-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily V member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NER1
Assay: Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
Measurement: IC50 = 3940 nM (pChEMBL 5.409999847412109)
Descriptors: MW 371.44, ALogP 4.21, HBA 3, HBD 2, PSA 67.01, QED 0.53