lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(Nc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1)NC12CC3CC(CC(C3)C1)C2
InChIKey: IPRFZZYSXWEVAH-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins by fluorescence analysis
Measurement: IC50 = 74.2 nM (pChEMBL 7.130000114440918)
Descriptors: MW 474.61, ALogP 4.87, HBA 4, HBD 3, PSA 82.7, QED 0.58
Compound (SMILES): O=C(Nc1ccc(OCCN2CCOCC2)c(Cl)c1)NC12CC3CC(CC(C3)C1)C2
InChIKey: SSNFHQBELKVCIT-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins by fluorescence analysis
Measurement: IC50 = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 433.98, ALogP 4.14, HBA 4, HBD 2, PSA 62.83, QED 0.71
Compound (SMILES): O=C(Nc1ccc(OCCN2CCOCC2)cc1Cl)NC12CC3CC(CC(C3)C1)C2
InChIKey: GTXFIFLDRQIBPI-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins by fluorescence analysis
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 433.98, ALogP 4.14, HBA 4, HBD 2, PSA 62.83, QED 0.71
Compound (SMILES): C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCCC3(C(=O)O)CCOCC3)C[C@@H]21
InChIKey: OAGMVCCGAJTQIV-MBOZVWFJSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of [125I]-MCH from MCHR1 after 2 hrs by scintillation counting
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 478.56, ALogP 5.45, HBA 3, HBD 2, PSA 65.56, QED 0.6
Compound (SMILES): C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCC3(C(=O)O)CCOCC3)C[C@@H]21
InChIKey: LXWOJMUVVLHEGE-GPMSIDNRSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of [125I]-MCH from MCHR1 after 2 hrs by scintillation counting
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 464.53, ALogP 5.06, HBA 3, HBD 2, PSA 65.56, QED 0.66
Compound (SMILES): C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCC3(C(=O)O)CCCCC3)C[C@@H]21
InChIKey: WAOZNBXSEVIAGX-MBOZVWFJSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of [125I]-MCH from MCHR1 after 2 hrs by scintillation counting
Measurement: IC50 = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 462.56, ALogP 6.21, HBA 2, HBD 2, PSA 56.33, QED 0.57
Compound (SMILES): CC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: LTILUBGSFJKXSM-CABCVRRESA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 353.42, ALogP 0.68, HBA 5, HBD 2, PSA 107.02, QED 0.4
Compound (SMILES): COCC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: QLWGBXKLJUYQJV-CABCVRRESA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 383.45, ALogP 0.31, HBA 6, HBD 2, PSA 116.25, QED 0.34
Compound (SMILES): CC(C)C(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: UONJQZXZLFFHJH-CVEARBPZSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 381.47, ALogP 1.32, HBA 5, HBD 2, PSA 107.02, QED 0.37
Compound (SMILES): CC(C)CC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: RIRFIKXLSWKRLK-SJORKVTESA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 395.5, ALogP 1.71, HBA 5, HBD 2, PSA 107.02, QED 0.35
Compound (SMILES): CC(C)(C)C(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: LMTMBYPIWWXGRA-CVEARBPZSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 395.5, ALogP 1.71, HBA 5, HBD 2, PSA 107.02, QED 0.39
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)C1CCC1
InChIKey: FLUUUWSGUGYMKX-SJORKVTESA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 393.48, ALogP 1.46, HBA 5, HBD 2, PSA 107.02, QED 0.28
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)C1CC1
InChIKey: AZBHOSCBGQMGLI-CVEARBPZSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 2.3 nM (pChEMBL 8.640000343322754)
Descriptors: MW 379.46, ALogP 1.07, HBA 5, HBD 2, PSA 107.02, QED 0.28
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)C1CCCC1
InChIKey: XEKDFJCAHRHGGH-MSOLQXFVSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 407.51, ALogP 1.85, HBA 5, HBD 2, PSA 107.02, QED 0.28
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)C1CCCCC1
InChIKey: QHQGTBCSLAVMEP-MOPGFXCFSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 3.7 nM (pChEMBL 8.430000305175781)
Descriptors: MW 421.54, ALogP 2.24, HBA 5, HBD 2, PSA 107.02, QED 0.27
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)c1ccccc1
InChIKey: JPSWIPZHYDYDLN-MOPGFXCFSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)
UniProt: Q9F2F0
Assay: Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 0.28 nM (pChEMBL 9.550000190734863)
Descriptors: MW 415.49, ALogP 1.98, HBA 5, HBD 2, PSA 107.02, QED 0.29
Compound (SMILES): COC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: LODHUVNBDRQVHZ-KGLIPLIRSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 4.5 nM (pChEMBL 8.350000381469727)
Descriptors: MW 369.42, ALogP 0.9, HBA 6, HBD 2, PSA 116.25, QED 0.39
Compound (SMILES): CCOC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: JXTFRDOBEZTWPJ-CABCVRRESA-N
Target: Peptide deformylase (SINGLE PROTEIN), Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)
UniProt: Q9F2F0
Assay: Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 0.54 nM (pChEMBL 9.270000457763672)
Descriptors: MW 383.45, ALogP 1.29, HBA 6, HBD 2, PSA 116.25, QED 0.37
Compound (SMILES): CC(C)OC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: WBXJELQQGCFNSL-CVEARBPZSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 397.47, ALogP 1.68, HBA 6, HBD 2, PSA 116.25, QED 0.37
Compound (SMILES): CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: CZSWHORSWAHBIA-CVEARBPZSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 3.4 nM (pChEMBL 8.470000267028809)
Descriptors: MW 411.5, ALogP 2.07, HBA 6, HBD 2, PSA 116.25, QED 0.38
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC1CCC1
InChIKey: ZMVIFABCNJMSMZ-WBVHZDCISA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 409.48, ALogP 1.83, HBA 6, HBD 2, PSA 116.25, QED 0.36
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC1CCCC1
InChIKey: HEQWKNRYJNNDQJ-AEFFLSMTSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)
UniProt: Q9F2F0
Assay: Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 0.26 nM (pChEMBL 9.59000015258789)
Descriptors: MW 423.51, ALogP 2.22, HBA 6, HBD 2, PSA 116.25, QED 0.35
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC1CCCCC1
InChIKey: KORMDLJAEKFPQK-MJGOQNOKSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 1.5 nM (pChEMBL 8.819999694824219)
Descriptors: MW 437.54, ALogP 2.61, HBA 6, HBD 2, PSA 116.25, QED 0.34
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC1CCOCC1
InChIKey: RHWCOKRHWWCNNY-AEFFLSMTSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)
UniProt: Q9F2F0
Assay: Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 0.66 nM (pChEMBL 9.180000305175781)
Descriptors: MW 439.51, ALogP 1.45, HBA 7, HBD 2, PSA 125.48, QED 0.33
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC1CCNCC1
InChIKey: ZKNKFCJQZHKUEL-AEFFLSMTSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 5.9 nM (pChEMBL 8.229999542236328)
Descriptors: MW 438.53, ALogP 1.03, HBA 7, HBD 3, PSA 128.28, QED 0.29
Compound (SMILES): NC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: YODFBCZURREMBR-OLZOCXBDSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 2.2 nM (pChEMBL 8.65999984741211)
Descriptors: MW 354.41, ALogP 0.22, HBA 5, HBD 3, PSA 133.04, QED 0.34
Compound (SMILES): CNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: FKASFJRIJJXSSO-KGLIPLIRSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 2.1 nM (pChEMBL 8.680000305175781)
Descriptors: MW 368.43, ALogP 0.48, HBA 5, HBD 3, PSA 119.05, QED 0.34
Compound (SMILES): CCNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: ZLQDZVYXTLNPIJ-CABCVRRESA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 382.46, ALogP 0.87, HBA 5, HBD 3, PSA 119.05, QED 0.33
Compound (SMILES): CC(C)NC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: WOLNWDIQVHDQBR-CVEARBPZSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 1.6 nM (pChEMBL 8.800000190734863)
Descriptors: MW 396.49, ALogP 1.26, HBA 5, HBD 3, PSA 119.05, QED 0.32
Compound (SMILES): CC(C)(C)NC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: DASPZGADAHNUMQ-CVEARBPZSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 410.52, ALogP 1.65, HBA 5, HBD 3, PSA 119.05, QED 0.33
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NC1CCC1
InChIKey: FXZWALGNZVUFDE-WBVHZDCISA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 0.9 nM (pChEMBL 9.050000190734863)
Descriptors: MW 408.5, ALogP 1.4, HBA 5, HBD 3, PSA 119.05, QED 0.32
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NC1CCCC1
InChIKey: POLATGYVZGSVCI-AEFFLSMTSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 0.52 nM (pChEMBL 9.279999732971191)
Descriptors: MW 422.53, ALogP 1.79, HBA 5, HBD 3, PSA 119.05, QED 0.31
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NC1CCCCC1
InChIKey: YSMMYFCXVAKKQC-MJGOQNOKSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 0.93 nM (pChEMBL 9.029999732971191)
Descriptors: MW 436.55, ALogP 2.18, HBA 5, HBD 3, PSA 119.05, QED 0.31
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCc1ccccc1
InChIKey: TVUQLYMPXSMCKY-UXHICEINSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 1.7 nM (pChEMBL 8.770000457763672)
Descriptors: MW 444.53, ALogP 2.05, HBA 5, HBD 3, PSA 119.05, QED 0.31
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1ccccc1
InChIKey: KLBNIMBVLSGXDC-RTWAWAEBSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 0.86 nM (pChEMBL 9.069999694824219)
Descriptors: MW 458.56, ALogP 2.09, HBA 5, HBD 3, PSA 119.05, QED 0.28
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCCc1ccccc1
InChIKey: IPYMOOYCEZPINJ-YADHBBJMSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 472.59, ALogP 2.48, HBA 5, HBD 3, PSA 119.05, QED 0.2
Compound (SMILES): C=CCNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: YJOLDRKNWFZJPU-CVEARBPZSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)
UniProt: Q9F2F0
Assay: Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 2.1 nM (pChEMBL 8.680000305175781)
Descriptors: MW 394.47, ALogP 1.03, HBA 5, HBD 3, PSA 119.05, QED 0.23
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1ccncc1
InChIKey: ODZRPFPJLJDKLB-UXHICEINSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 1.7 nM (pChEMBL 8.770000457763672)
Descriptors: MW 459.55, ALogP 1.49, HBA 6, HBD 3, PSA 131.94, QED 0.28
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1cccnc1
InChIKey: TXFMDFIRHSQLJI-UXHICEINSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 1.4 nM (pChEMBL 8.850000381469727)
Descriptors: MW 459.55, ALogP 1.49, HBA 6, HBD 3, PSA 131.94, QED 0.28
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1ccccn1
InChIKey: HJISRUOCWIHOPR-QUCCMNQESA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 1.4 nM (pChEMBL 8.850000381469727)
Descriptors: MW 459.55, ALogP 1.49, HBA 6, HBD 3, PSA 131.94, QED 0.28
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1cnccn1
InChIKey: VZDZRBPANNWEDI-MJGOQNOKSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)
UniProt: Q9F2F0
Assay: Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 0.41 nM (pChEMBL 9.390000343322754)
Descriptors: MW 460.54, ALogP 0.88, HBA 7, HBD 3, PSA 144.83, QED 0.27
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCO
InChIKey: PVFAWBIVNRXKJZ-CABCVRRESA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 3.8 nM (pChEMBL 8.420000076293945)
Descriptors: MW 398.46, ALogP -0.16, HBA 6, HBD 4, PSA 139.28, QED 0.24
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCCO
InChIKey: DXRHLHRSHBCEND-CVEARBPZSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 3.2 nM (pChEMBL 8.489999771118164)
Descriptors: MW 412.49, ALogP 0.23, HBA 6, HBD 4, PSA 139.28, QED 0.18
Compound (SMILES): NCCNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: AQHGRNKKKVCCCR-CABCVRRESA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 2.3 nM (pChEMBL 8.640000343322754)
Descriptors: MW 397.48, ALogP -0.19, HBA 6, HBD 4, PSA 145.07, QED 0.24
Compound (SMILES): NC(=O)CCNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O
InChIKey: QFWSNBCYIILFGI-CABCVRRESA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 3.3 nM (pChEMBL 8.479999542236328)
Descriptors: MW 425.49, ALogP -0.28, HBA 6, HBD 4, PSA 162.14, QED 0.21
Compound (SMILES): O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1c[nH]cn1
InChIKey: UAYGKXFJYJQLIP-AEFFLSMTSA-N
Target: Peptide deformylase (SINGLE PROTEIN), Staphylococcus aureus
UniProt: P68826
Assay: Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
Measurement: IC50 = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 448.52, ALogP 0.81, HBA 6, HBD 4, PSA 147.73, QED 0.24
Compound (SMILES): Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc(Cl)ccc2o1
InChIKey: PVBTXZKRTQKXBX-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
Measurement: IC50 = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 394.87, ALogP 3.91, HBA 7, HBD 2, PSA 94.79, QED 0.55
Compound (SMILES): Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cc(Cl)cc(F)c2o1
InChIKey: BCSYDNWFUHERLA-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 412.86, ALogP 4.05, HBA 7, HBD 2, PSA 94.79, QED 0.53
Compound (SMILES): CC(=O)c1ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc2c1
InChIKey: CZAOVEJVYWDFGE-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
Measurement: IC50 = 800 nM (pChEMBL 6.099999904632568)
Descriptors: MW 402.46, ALogP 3.46, HBA 8, HBD 2, PSA 111.86, QED 0.5
Compound (SMILES): CC(O)c1ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc2c1
InChIKey: HIEHNKSXPYUHNY-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 404.47, ALogP 3.31, HBA 8, HBD 3, PSA 115.02, QED 0.48
Compound (SMILES): Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(-c3cccnc3)cc2o1.O=C(O)C(F)(F)F
InChIKey: BRAXOZARDJCJQT-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
Measurement: IC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 437.51, ALogP 4.32, HBA 8, HBD 2, PSA 107.68, QED 0.43
Compound (SMILES): Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(-c3cc[nH]n3)cc2o1.O=C(O)C(F)(F)F
InChIKey: HMQOLXCAVXYFNW-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 426.48, ALogP 3.65, HBA 8, HBD 3, PSA 123.47, QED 0.4
Compound (SMILES): Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2cccc(-c3ccccn3)c2o1.O=C(O)C(F)(F)F
InChIKey: CXZFESDWBCZALE-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
Measurement: IC50 = 1.6 nM (pChEMBL 8.800000190734863)
Descriptors: MW 437.51, ALogP 4.32, HBA 8, HBD 2, PSA 107.68, QED 0.43
Compound (SMILES): COc1ccc(-c2cccc3nc(-c4cc(-c5cnn(C6CCNCC6)c5)cnc4N)oc23)cc1.O=C(O)C(F)(F)F
InChIKey: IXXDZWNOKLKOIS-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
Measurement: IC50 = 77 nM (pChEMBL 7.110000133514404)
Descriptors: MW 466.55, ALogP 4.94, HBA 8, HBD 2, PSA 104.02, QED 0.38
Compound (SMILES): CC(C)Nc1cccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc12.O=C(O)C(F)(F)F
InChIKey: WBGQBUYDSRMRCH-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 417.52, ALogP 4.08, HBA 8, HBD 3, PSA 106.82, QED 0.45
Compound (SMILES): CNc1ccc2oc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nc2c1.O=C(O)C(F)(F)F
InChIKey: CXNWFRPOIBOQIH-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 389.46, ALogP 3.3, HBA 8, HBD 3, PSA 106.82, QED 0.49
Compound (SMILES): CC(=O)Nc1ccc2oc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nc2c1.O=C(O)C(F)(F)F
InChIKey: YIPMDHPPUQJWAV-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
Measurement: IC50 = 540 nM (pChEMBL 6.269999980926514)
Descriptors: MW 417.47, ALogP 3.22, HBA 8, HBD 3, PSA 123.89, QED 0.47
Compound (SMILES): CCCNc1ccc2nc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)oc2c1.O=C(O)C(F)(F)F
InChIKey: IOYSFUZMNCKTID-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 417.52, ALogP 4.08, HBA 8, HBD 3, PSA 106.82, QED 0.43
Compound (SMILES): Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(Nc3ncccn3)cc2o1.O=C(O)C(F)(F)F
InChIKey: VZGYWRIRTJVEMC-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
Measurement: IC50 = 63 nM (pChEMBL 7.199999809265137)
Descriptors: MW 453.51, ALogP 3.79, HBA 10, HBD 3, PSA 132.6, QED 0.36
Compound (SMILES): Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(Oc3ccncn3)cc2o1.O=C(O)C(F)(F)F
InChIKey: INVKMGVMSSQRTH-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
Measurement: IC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 454.49, ALogP 3.84, HBA 10, HBD 2, PSA 129.8, QED 0.41
Compound (SMILES): CCCC1c2ccsc2CCN1C(=O)Nc1ccc(Cl)cc1
InChIKey: XOKDLWBHZAUWTH-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 1390 nM (pChEMBL 5.860000133514404)
Descriptors: MW 334.87, ALogP 5.33, HBA 2, HBD 1, PSA 32.34, QED 0.81
Compound (SMILES): CCCC1c2ccsc2CCN1C(=O)Nc1ccccc1
InChIKey: PYWWUQYTGHSKNR-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 293 nM (pChEMBL 6.53000020980835)
Descriptors: MW 300.43, ALogP 4.68, HBA 2, HBD 1, PSA 32.34, QED 0.88
Compound (SMILES): O=C(Nc1ccccc1)N1CCc2sccc2C1
InChIKey: NFZNPCNWWGGNJT-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 258.35, ALogP 3.34, HBA 2, HBD 1, PSA 32.34, QED 0.84
Compound (SMILES): CC1c2ccsc2CCN1C(=O)Nc1ccccc1
InChIKey: ZGDJKBIGXVLSEZ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 6800 nM (pChEMBL 5.170000076293945)
Descriptors: MW 272.37, ALogP 3.9, HBA 2, HBD 1, PSA 32.34, QED 0.84
Compound (SMILES): O=C(Nc1ccccc1)N1CCc2sccc2C1C1CC1
InChIKey: QXKHHDZVPSGWAX-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 5570 nM (pChEMBL 5.25)
Descriptors: MW 298.41, ALogP 4.29, HBA 2, HBD 1, PSA 32.34, QED 0.88
Compound (SMILES): O=C(Nc1ccccc1)N1CCc2sccc2C1c1ccccc1
InChIKey: HHIAUFKPFQHAOW-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 1690 nM (pChEMBL 5.769999980926514)
Descriptors: MW 334.44, ALogP 4.93, HBA 2, HBD 1, PSA 32.34, QED 0.71
Compound (SMILES): O=C(Nc1ccccc1)N1CCc2sccc2C1c1ccccc1C(F)(F)F
InChIKey: MGZUFJIPFKKQOR-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 402.44, ALogP 5.95, HBA 2, HBD 1, PSA 32.34, QED 0.56
Compound (SMILES): O=C(Nc1ccccc1)N1CCc2sccc2C1c1cccc(C(F)(F)F)c1
InChIKey: UILSSESXGROSFV-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 1830 nM (pChEMBL 5.739999771118164)
Descriptors: MW 402.44, ALogP 5.95, HBA 2, HBD 1, PSA 32.34, QED 0.56
Compound (SMILES): O=C(Nc1ccccc1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: ZENWGCUDJZGQEF-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 290 nM (pChEMBL 6.539999961853027)
Descriptors: MW 402.44, ALogP 5.95, HBA 2, HBD 1, PSA 32.34, QED 0.56
Compound (SMILES): O=C(Nc1ccccc1)N1CCc2sccc2C1c1ccccc1Cl
InChIKey: RUVFWXBRYJFCTA-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 368.89, ALogP 5.58, HBA 2, HBD 1, PSA 32.34, QED 0.63
Compound (SMILES): O=C(Nc1ccccc1)N1CCc2sccc2C1c1cccc(Cl)c1
InChIKey: KBHFUCVGIJVLCD-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 2890 nM (pChEMBL 5.539999961853027)
Descriptors: MW 368.89, ALogP 5.58, HBA 2, HBD 1, PSA 32.34, QED 0.63
Compound (SMILES): O=C(Nc1ccccc1)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIKey: VKNPNFFVRYOJAD-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 560 nM (pChEMBL 6.25)
Descriptors: MW 368.89, ALogP 5.58, HBA 2, HBD 1, PSA 32.34, QED 0.63
Compound (SMILES): O=C(Nc1ccccc1)N1CCc2sccc2C1c1ccccc1F
InChIKey: VZQHTDNWUVVVSZ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 2270 nM (pChEMBL 5.639999866485596)
Descriptors: MW 352.43, ALogP 5.07, HBA 2, HBD 1, PSA 32.34, QED 0.69
Compound (SMILES): O=C(Nc1ccccc1)N1CCc2sccc2C1c1cccc(F)c1
InChIKey: RLSQHBPQCFEAPR-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 1320 nM (pChEMBL 5.880000114440918)
Descriptors: MW 352.43, ALogP 5.07, HBA 2, HBD 1, PSA 32.34, QED 0.69
Compound (SMILES): O=C(Nc1ccccc1)N1CCc2sccc2C1c1ccc(F)cc1
InChIKey: COZAUGRKNQCDCG-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 1840 nM (pChEMBL 5.739999771118164)
Descriptors: MW 352.43, ALogP 5.07, HBA 2, HBD 1, PSA 32.34, QED 0.69
Compound (SMILES): CC(C)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: MZWUJUVHDZLGHX-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 325.4, ALogP 5.12, HBA 2, HBD 0, PSA 3.24, QED 0.74
Compound (SMILES): CC(C)CN1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: FXJIMUOQXGWOMU-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 339.43, ALogP 5.37, HBA 2, HBD 0, PSA 3.24, QED 0.73
Compound (SMILES): FC(F)(F)c1ccc(C2c3ccsc3CCN2Cc2ccccc2)cc1
InChIKey: URCXMVDTQUZWAI-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 373.44, ALogP 5.91, HBA 2, HBD 0, PSA 3.24, QED 0.55
Compound (SMILES): CC(C)C(=O)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: GLRWSJVGVRVHFK-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 1260 nM (pChEMBL 5.900000095367432)
Descriptors: MW 353.41, ALogP 4.9, HBA 2, HBD 0, PSA 20.31, QED 0.75
Compound (SMILES): O=C(c1ccccc1F)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: NALFRRDOUNYSKT-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 405.42, ALogP 5.69, HBA 2, HBD 0, PSA 20.31, QED 0.5
Compound (SMILES): O=C(c1cccc(F)c1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: RAAXSWOQEJHVFO-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 405.42, ALogP 5.69, HBA 2, HBD 0, PSA 20.31, QED 0.5
Compound (SMILES): O=C(c1ccc(F)cc1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: IRUGXYXZAWUWES-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 405.42, ALogP 5.69, HBA 2, HBD 0, PSA 20.31, QED 0.5
Compound (SMILES): CC(C)NC(=O)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: JRKVBRANZVWTGC-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 550 nM (pChEMBL 6.260000228881836)
Descriptors: MW 368.42, ALogP 4.83, HBA 2, HBD 1, PSA 32.34, QED 0.81
Compound (SMILES): O=C(NC1CC1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: NKTMGVQULVMCBW-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 1210 nM (pChEMBL 5.920000076293945)
Descriptors: MW 366.41, ALogP 4.59, HBA 2, HBD 1, PSA 32.34, QED 0.83
Compound (SMILES): O=C(N1CCOCC1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: ABUIKYFOWXUFJZ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 396.43, ALogP 4.17, HBA 3, HBD 0, PSA 32.78, QED 0.73
Compound (SMILES): COc1ccc(NC(=O)N2CCc3sccc3C2c2ccc(C(F)(F)F)cc2)cc1
InChIKey: BEJSPXGBHRZNPB-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 2320 nM (pChEMBL 5.630000114440918)
Descriptors: MW 432.47, ALogP 5.96, HBA 3, HBD 1, PSA 41.57, QED 0.56
Compound (SMILES): O=C(Nc1ccc(Cl)cc1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: MULBDPMFMRBRMK-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 1630 nM (pChEMBL 5.789999961853027)
Descriptors: MW 436.89, ALogP 6.6, HBA 2, HBD 1, PSA 32.34, QED 0.48
Compound (SMILES): O=C(Nc1ccccc1F)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: VZHKEZUUXGWVSZ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 420.43, ALogP 6.09, HBA 2, HBD 1, PSA 32.34, QED 0.5
Compound (SMILES): O=C(Nc1cccc(F)c1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: LJWFMELYNHKQCS-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 780 nM (pChEMBL 6.110000133514404)
Descriptors: MW 420.43, ALogP 6.09, HBA 2, HBD 1, PSA 32.34, QED 0.5
Compound (SMILES): O=C(Nc1ccc(F)cc1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: WYNBWGVBDVSVCT-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 420.43, ALogP 6.09, HBA 2, HBD 1, PSA 32.34, QED 0.5
Compound (SMILES): O=C(Cc1ccc(F)cc1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: YUWGYSIVEABLIX-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 890 nM (pChEMBL 6.050000190734863)
Descriptors: MW 419.44, ALogP 5.62, HBA 2, HBD 0, PSA 20.31, QED 0.5
Compound (SMILES): O=C(Nc1ccc(F)cc1)N1CCc2ccsc2C1c1ccc(C(F)(F)F)cc1
InChIKey: ULKZMLUPDOZBMM-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 420.43, ALogP 6.09, HBA 2, HBD 1, PSA 32.34, QED 0.5
Compound (SMILES): O=C(Nc1ccc(F)cc1)N1CCc2occc2C1c1ccc(C(F)(F)F)cc1
InChIKey: WLQZSGGBHSDNBI-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 404.36, ALogP 5.62, HBA 2, HBD 1, PSA 45.48, QED 0.56
Compound (SMILES): O=C(Nc1ccc(F)cc1)N1CCc2ccoc2C1c1ccc(C(F)(F)F)cc1
InChIKey: QUZCUXJBYBYYSG-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 230 nM (pChEMBL 6.639999866485596)
Descriptors: MW 404.36, ALogP 5.62, HBA 2, HBD 1, PSA 45.48, QED 0.56
Compound (SMILES): O=C(Nc1ccc(F)cc1)N1CCn2cccc2C1c1ccc(C(F)(F)F)cc1
InChIKey: ALVVEJLHEPYYOQ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 403.38, ALogP 5.28, HBA 2, HBD 1, PSA 37.27, QED 0.58
Compound (SMILES): O=C(Nc1ccc(F)cc1)N1CCc2scnc2C1c1ccc(C(F)(F)F)cc1
InChIKey: QTKNCHSLHVSZQT-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 93 nM (pChEMBL 7.03000020980835)
Descriptors: MW 421.42, ALogP 5.48, HBA 3, HBD 1, PSA 45.23, QED 0.56
Compound (SMILES): O=C(Nc1ccc(F)cc1)N1CCc2[nH]cnc2C1c1ccc(C(F)(F)F)cc1
InChIKey: UAOMQZHFICEDBZ-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 1430 nM (pChEMBL 5.840000152587891)
Descriptors: MW 404.37, ALogP 4.75, HBA 2, HBD 2, PSA 61.02, QED 0.61
Compound (SMILES): Cn1cnc2c1CCN(C(=O)Nc1ccc(F)cc1)C2c1ccc(C(F)(F)F)cc1
InChIKey: ZSTGYKXUKMGRAN-UHFFFAOYSA-N
Target: Transient receptor potential cation channel subfamily M member 8 (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q8R455
Assay: Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 418.39, ALogP 4.76, HBA 3, HBD 1, PSA 50.16, QED 0.61