lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccoc2)nc1
InChIKey: GAFHFEQHNQIHRK-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 363 nM (pChEMBL 6.440000057220459)
Descriptors: MW 429.48, ALogP 4.52, HBA 6, HBD 1, PSA 97.14, QED 0.51
Compound (SMILES): COc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)nc1
InChIKey: DPOBFAZXVTXVTO-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 445.55, ALogP 4.98, HBA 6, HBD 1, PSA 84, QED 0.48
Compound (SMILES): COc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccco2)nc1
InChIKey: XMVKTHNWRJIGOA-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 153 nM (pChEMBL 6.820000171661377)
Descriptors: MW 429.48, ALogP 4.52, HBA 6, HBD 1, PSA 97.14, QED 0.51
Compound (SMILES): COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2Cl)cc1
InChIKey: FPSPFIZZDABGCF-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 392 nM (pChEMBL 6.409999847412109)
Descriptors: MW 478.02, ALogP 6.85, HBA 4, HBD 1, PSA 58.22, QED 0.35
Compound (SMILES): COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2csc(C)c2)cc1
InChIKey: NARHETUSVPAYTM-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 457.6, ALogP 6.5, HBA 4, HBD 1, PSA 58.22, QED 0.38
Compound (SMILES): COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccc(C)s2)cc1
InChIKey: ADVXHRDMCHUXKQ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 457.6, ALogP 6.5, HBA 4, HBD 1, PSA 58.22, QED 0.38
Compound (SMILES): COCCOCc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: AIMGMPQTFBTOJQ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 274 nM (pChEMBL 6.559999942779541)
Descriptors: MW 502.64, ALogP 5.74, HBA 6, HBD 1, PSA 80.34, QED 0.31
Compound (SMILES): COCCOc1ncccc1C1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIKey: CFOFWWNVKYJZFM-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 474.59, ALogP 5.43, HBA 6, HBD 1, PSA 80.34, QED 0.34
Compound (SMILES): COCCOc1ncccc1C1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccon2)cc1
InChIKey: BUJBNDIUVHYUIF-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 378 nM (pChEMBL 6.420000076293945)
Descriptors: MW 459.51, ALogP 4.36, HBA 7, HBD 1, PSA 106.37, QED 0.39
Compound (SMILES): COCCOc1ncccc1C1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2noc(C)n2)cc1
InChIKey: SKUWSQVEBFRIHW-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 244 nM (pChEMBL 6.610000133514404)
Descriptors: MW 474.52, ALogP 4.06, HBA 8, HBD 1, PSA 119.26, QED 0.38
Compound (SMILES): COCCOc1ncccc1C1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2nc(C)no2)cc1
InChIKey: BGUYTVKMPNZEKQ-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 664 nM (pChEMBL 6.179999828338623)
Descriptors: MW 474.52, ALogP 4.06, HBA 8, HBD 1, PSA 119.26, QED 0.38
Compound (SMILES): Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)C3c3ccccc3N3CCCC3=O)cc2)no1
InChIKey: CIJFWTJJHFDQFU-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Inhibiton Assay: Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
Measurement: IC50 = 668 nM (pChEMBL 6.170000076293945)
Descriptors: MW 486.53, ALogP 4.3, HBA 7, HBD 1, PSA 116.84, QED 0.55
Compound (SMILES): NC(=O)CNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: DIDHBQMSNAWHFZ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 443.47, ALogP 1.93, HBA 10, HBD 3, PSA 171.62, QED 0.38
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCNCC6)nc5)n4)CCC3)cn2)cn1
InChIKey: ONVQZGXPRJZCMK-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.7 nM (pChEMBL 8.569999694824219)
Descriptors: MW 455.53, ALogP 2.45, HBA 10, HBD 2, PSA 131.77, QED 0.46
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cc[nH]n5)n4)CCC3)cn2)cn1
InChIKey: MJSBADFJZHURFS-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 360.38, ALogP 2.36, HBA 8, HBD 2, PSA 132.29, QED 0.57
Compound (SMILES): Cc1cccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)c1
InChIKey: TXEWNODITPWQNU-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 8.8 nM (pChEMBL 8.0600004196167)
Descriptors: MW 384.44, ALogP 3.95, HBA 7, HBD 1, PSA 103.61, QED 0.57
Compound (SMILES): Cc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cc1
InChIKey: GGPXJRNXUMCSFV-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 5.8 nM (pChEMBL 8.239999771118164)
Descriptors: MW 384.44, ALogP 3.95, HBA 7, HBD 1, PSA 103.61, QED 0.57
Compound (SMILES): CS(=O)(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cc1
InChIKey: IJAIQCOUOQTUTP-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 448.51, ALogP 3.04, HBA 9, HBD 1, PSA 137.75, QED 0.49
Compound (SMILES): CCNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: AHFZCJKJQXREQQ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 414.47, ALogP 3.47, HBA 9, HBD 2, PSA 128.53, QED 0.49
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(NC6CC6)nc5)n4)CCC3)cn2)cn1
InChIKey: UYHHTUFGCNMJGL-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.9 nM (pChEMBL 8.539999961853027)
Descriptors: MW 426.48, ALogP 3.61, HBA 9, HBD 2, PSA 128.53, QED 0.47
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cc(N)[nH]n5)n4)CCC3)cn2)cn1
InChIKey: DSIPUJBEWQBORH-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 375.4, ALogP 1.95, HBA 9, HBD 3, PSA 158.31, QED 0.48
Compound (SMILES): CS(=O)(=O)c1cccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)c1
InChIKey: KSDOVGJOFJJOKG-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 78 nM (pChEMBL 7.110000133514404)
Descriptors: MW 448.51, ALogP 3.04, HBA 9, HBD 1, PSA 137.75, QED 0.49
Compound (SMILES): CC(C)(O)CNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: OMXRIULZSCDLMI-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.1 nM (pChEMBL 8.680000305175781)
Descriptors: MW 458.53, ALogP 3.22, HBA 10, HBD 3, PSA 148.76, QED 0.38
Compound (SMILES): CCOC(=O)CNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: XBTHUGPVUJZODJ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 3.9 nM (pChEMBL 8.40999984741211)
Descriptors: MW 472.51, ALogP 3.01, HBA 11, HBD 2, PSA 154.83, QED 0.36
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5c[nH]nn5)n4)CCC3)cn2)cn1
InChIKey: ZVUHHDQEASGYJQ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 361.37, ALogP 1.76, HBA 9, HBD 2, PSA 145.18, QED 0.55
Compound (SMILES): CN(C)c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1
InChIKey: NFSSFVUKSIEQIF-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as reduction in LTB4 production pretreated for 15 mins followed by calcimycin addition after 30 mins by ELISA
Measurement: IC50 = 2600 nM (pChEMBL 5.579999923706055)
Descriptors: MW 337.39, ALogP 2.04, HBA 8, HBD 1, PSA 106.85, QED 0.77
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(NCC(=O)O)nc5)n4)CCC3)cn2)cn1
InChIKey: KTCNCLBKQXABAZ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 444.46, ALogP 2.53, HBA 10, HBD 3, PSA 165.83, QED 0.38
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(S(N)(=O)=O)cc5)n4)CCC3)cn2)cn1
InChIKey: YDKHOISWBAPOMH-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 8.7 nM (pChEMBL 8.0600004196167)
Descriptors: MW 449.5, ALogP 2.29, HBA 9, HBD 2, PSA 163.77, QED 0.46
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(NCC6(O)CC6)nc5)n4)CCC3)cn2)cn1
InChIKey: RZZJGYYRFAKRST-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 1.8 nM (pChEMBL 8.739999771118164)
Descriptors: MW 456.51, ALogP 2.97, HBA 10, HBD 3, PSA 148.76, QED 0.38
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cccc(S(N)(=O)=O)c5)n4)CCC3)cn2)cn1
InChIKey: MPIXRBLHXMIWMN-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 58 nM (pChEMBL 7.239999771118164)
Descriptors: MW 449.5, ALogP 2.29, HBA 9, HBD 2, PSA 163.77, QED 0.46
Compound (SMILES): Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)c(C(F)(F)F)n1
InChIKey: XMIJKOKEOFELFR-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 9.2 nM (pChEMBL 8.039999961853027)
Descriptors: MW 442.41, ALogP 3.39, HBA 9, HBD 1, PSA 121.43, QED 0.51
Compound (SMILES): CC(C)(CO)Nc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: XZMXCGMYKINNMH-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 458.53, ALogP 3.22, HBA 10, HBD 3, PSA 148.76, QED 0.38
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(OCCO)nc5)n4)CCC3)cn2)cn1
InChIKey: CWASHDFCOQABCF-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 431.46, ALogP 2.41, HBA 10, HBD 2, PSA 145.96, QED 0.45
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cscn5)n4)CCC3)cn2)cn1
InChIKey: KMBBAXHUANGQNJ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 377.43, ALogP 3.1, HBA 9, HBD 1, PSA 116.5, QED 0.58
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cocn5)n4)CCC3)cn2)cn1
InChIKey: PAURORYQKIBXST-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 361.37, ALogP 2.63, HBA 9, HBD 1, PSA 129.64, QED 0.58
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnn6cccnc56)n4)CCC3)cn2)cn1
InChIKey: BUGJNVWJKANADI-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 411.43, ALogP 2.68, HBA 10, HBD 1, PSA 133.8, QED 0.47
Compound (SMILES): Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)ccc1=O
InChIKey: SYMGSUIKKYVRGZ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 401.43, ALogP 2.34, HBA 9, HBD 1, PSA 125.61, QED 0.55
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc6nccn6c5)n4)CCC3)cn2)cn1
InChIKey: ZHLVPNGHCZEGQV-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 12.4 nM (pChEMBL 7.909999847412109)
Descriptors: MW 410.44, ALogP 3.29, HBA 9, HBD 1, PSA 120.91, QED 0.48
Compound (SMILES): COCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: SOXZMULFOLRMSM-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 418.46, ALogP 2.48, HBA 10, HBD 1, PSA 130.66, QED 0.48
Compound (SMILES): CC(CO)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: LDNIUCWLQDAARQ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 418.46, ALogP 2.39, HBA 10, HBD 2, PSA 141.66, QED 0.48
Compound (SMILES): CC(C)(CO)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: LRVPMRJOYSSMJC-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 432.49, ALogP 2.56, HBA 10, HBD 2, PSA 141.66, QED 0.47
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(-n6ccnc6)nc5)n4)CCC3)cn2)cn1
InChIKey: XLMCTBNNRJPVNC-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 437.47, ALogP 3.22, HBA 10, HBD 1, PSA 134.32, QED 0.44
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(O)cc5)n4)CCC3)cn2)cn1
InChIKey: DVBLPHZYJBHOCD-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.9 nM (pChEMBL 8.539999961853027)
Descriptors: MW 386.42, ALogP 3.35, HBA 8, HBD 2, PSA 123.84, QED 0.55
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(NC(CO)CO)nc5)n4)CCC3)cn2)cn1
InChIKey: WGJHGMGHXVGFFH-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.2 nM (pChEMBL 8.65999984741211)
Descriptors: MW 460.5, ALogP 1.8, HBA 11, HBD 4, PSA 168.99, QED 0.3
Compound (SMILES): CN(C)C(=O)[C@@H]1CCCN1c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: FADFPVHERODUGA-NRFANRHFSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 511.59, ALogP 3.09, HBA 10, HBD 1, PSA 140.05, QED 0.41
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCC[C@H]6C(=O)O)nc5)n4)CCC3)cn2)cn1
InChIKey: ZZGWJBPKSIPENS-IBGZPJMESA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 484.52, ALogP 3.09, HBA 10, HBD 2, PSA 157.04, QED 0.41
Compound (SMILES): COC(=O)[C@@H]1CCCN1c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: HYAZBUZIZWBOKQ-FQEVSTJZSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 5.9 nM (pChEMBL 8.229999542236328)
Descriptors: MW 498.55, ALogP 3.18, HBA 11, HBD 1, PSA 146.04, QED 0.39
Compound (SMILES): Cn1cnnc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1
InChIKey: HFFCTIQEGWMMEV-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 375.4, ALogP 1.77, HBA 10, HBD 1, PSA 134.32, QED 0.57
Compound (SMILES): COC(=O)[C@H]1CNCCN1c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: LABMRJMAQQPSHF-HXUWFJFHSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 3.2 nM (pChEMBL 8.489999771118164)
Descriptors: MW 513.56, ALogP 1.99, HBA 12, HBD 2, PSA 158.07, QED 0.36
Compound (SMILES): COC(=O)[C@@H]1CN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CCN1
InChIKey: KQTONKOSSJSDCM-FQEVSTJZSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 3.7 nM (pChEMBL 8.430000305175781)
Descriptors: MW 513.56, ALogP 1.99, HBA 12, HBD 2, PSA 158.07, QED 0.36
Compound (SMILES): COC(=O)[C@H]1CN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CCN1
InChIKey: KQTONKOSSJSDCM-HXUWFJFHSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 3.3 nM (pChEMBL 8.479999542236328)
Descriptors: MW 513.56, ALogP 1.99, HBA 12, HBD 2, PSA 158.07, QED 0.36
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCN[C@H](C(=O)O)C6)nc5)n4)CCC3)cn2)cn1
InChIKey: WNIMYOPSPHQOFG-IBGZPJMESA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 7.7 nM (pChEMBL 8.109999656677246)
Descriptors: MW 499.54, ALogP 1.9, HBA 11, HBD 3, PSA 169.07, QED 0.35
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCN[C@@H](C(=O)O)C6)nc5)n4)CCC3)cn2)cn1
InChIKey: WNIMYOPSPHQOFG-LJQANCHMSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 7.7 nM (pChEMBL 8.109999656677246)
Descriptors: MW 499.54, ALogP 1.9, HBA 11, HBD 3, PSA 169.07, QED 0.35
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CC[C@@H](O)C6)nc5)n4)CCC3)cn2)cn1
InChIKey: DOLUEZAZIQUQJF-GOSISDBHSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 456.51, ALogP 2.61, HBA 10, HBD 2, PSA 139.97, QED 0.46
Compound (SMILES): C[C@@H](O)CNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: WPHQQXMDMLEWSV-CQSZACIVSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.7 nM (pChEMBL 8.569999694824219)
Descriptors: MW 444.5, ALogP 2.83, HBA 10, HBD 3, PSA 148.76, QED 0.39
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCC[C@@H]6CO)nc5)n4)CCC3)cn2)cn1
InChIKey: ZAHJRHXBXUDDMG-LJQANCHMSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 3.1 nM (pChEMBL 8.510000228881836)
Descriptors: MW 470.54, ALogP 3, HBA 10, HBD 2, PSA 139.97, QED 0.43
Compound (SMILES): C[C@H](O)CNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: WPHQQXMDMLEWSV-AWEZNQCLSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 444.5, ALogP 2.83, HBA 10, HBD 3, PSA 148.76, QED 0.39
Compound (SMILES): CCOC(=O)CCN1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CC1
InChIKey: WJGMEMSHWPGDNG-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 3.4 nM (pChEMBL 8.470000267028809)
Descriptors: MW 555.64, ALogP 3.11, HBA 12, HBD 1, PSA 149.28, QED 0.3
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CC[C@H](O)C6)nc5)n4)CCC3)cn2)cn1
InChIKey: DOLUEZAZIQUQJF-SFHVURJKSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.2 nM (pChEMBL 8.65999984741211)
Descriptors: MW 456.51, ALogP 2.61, HBA 10, HBD 2, PSA 139.97, QED 0.46
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCS(=O)(=O)CC6)nc5)n4)CCC3)cn2)cn1
InChIKey: CJUAUJQKDJGCFB-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 3.7 nM (pChEMBL 8.430000305175781)
Descriptors: MW 504.58, ALogP 2.27, HBA 11, HBD 1, PSA 153.88, QED 0.43
Compound (SMILES): CS(=O)(=O)N1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CC1
InChIKey: JEKRTVNMLYSPPF-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.7 nM (pChEMBL 8.569999694824219)
Descriptors: MW 533.62, ALogP 2.12, HBA 11, HBD 1, PSA 157.12, QED 0.39
Compound (SMILES): CS(=O)(=O)CCNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: JTBZQFPJAGUBTJ-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 4.8 nM (pChEMBL 8.319999694824219)
Descriptors: MW 492.57, ALogP 2.49, HBA 11, HBD 2, PSA 162.67, QED 0.37
Compound (SMILES): CS(=O)(=O)C1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)C1
InChIKey: CKBVFSSRMVNTDL-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 518.6, ALogP 2.66, HBA 11, HBD 1, PSA 153.88, QED 0.4
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCN(CCC(=O)O)CC6)nc5)n4)CCC3)cn2)cn1
InChIKey: ZAZPAKSJQXFFNK-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 527.59, ALogP 2.63, HBA 11, HBD 2, PSA 160.28, QED 0.35
Compound (SMILES): CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: MFYUYFBKZJPGFN-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 432.49, ALogP 2.61, HBA 10, HBD 2, PSA 141.66, QED 0.47
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cn2)cn1
InChIKey: SJUWQTQEQVEDFC-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as reduction in LTB4 production pretreated for 15 mins followed by calcimycin addition after 30 mins by ELISA
Measurement: IC50 = 71 nM (pChEMBL 7.150000095367432)
Descriptors: MW 416.45, ALogP 2.41, HBA 10, HBD 1, PSA 130.66, QED 0.52
Compound (SMILES): COCCNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: CVWZAJYCDGIXDF-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 3.2 nM (pChEMBL 8.489999771118164)
Descriptors: MW 445.49, ALogP 2.49, HBA 11, HBD 2, PSA 150.65, QED 0.38
Compound (SMILES): CCNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: YXGHTVUKAHARIS-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 415.46, ALogP 2.86, HBA 10, HBD 2, PSA 141.42, QED 0.48
Compound (SMILES): CNC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: BPHRHQXLXZIYEC-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 431.46, ALogP 1.58, HBA 10, HBD 2, PSA 150.53, QED 0.46
Compound (SMILES): CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: XNYSBLDOFRSZLK-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 83 nM (pChEMBL 7.079999923706055)
Descriptors: MW 445.49, ALogP 1.93, HBA 10, HBD 1, PSA 141.74, QED 0.47
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnc(N6CCNCC6)cn5)n4)CCC3)cn2)cn1
InChIKey: GPMURQZGFVCNCA-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 7.9 nM (pChEMBL 8.100000381469727)
Descriptors: MW 456.51, ALogP 1.84, HBA 11, HBD 2, PSA 144.66, QED 0.45
Compound (SMILES): CN1CCN(c2cnc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CC1
InChIKey: YZWITWIIFHPURC-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 1.8 nM (pChEMBL 8.739999771118164)
Descriptors: MW 470.54, ALogP 2.18, HBA 11, HBD 1, PSA 135.87, QED 0.46
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCNCC6)cc5)n4)CCC3)cn2)cn1
InChIKey: TXLKVXAUXZMBMN-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 454.54, ALogP 3.05, HBA 9, HBD 2, PSA 118.88, QED 0.47
Compound (SMILES): CCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: YMKBRMVJKNLMCP-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 8.8 nM (pChEMBL 8.0600004196167)
Descriptors: MW 388.44, ALogP 2.86, HBA 9, HBD 1, PSA 121.43, QED 0.55
Compound (SMILES): CC(C)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: VETYGYWVBGZDJW-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 7.2 nM (pChEMBL 8.140000343322754)
Descriptors: MW 402.46, ALogP 3.42, HBA 9, HBD 1, PSA 121.43, QED 0.54
Compound (SMILES): CC(C)(C(=O)O)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: MDZZLIVEAJHMGH-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 590 nM (pChEMBL 6.230000019073486)
Descriptors: MW 446.47, ALogP 2.66, HBA 10, HBD 2, PSA 158.73, QED 0.45
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C(F)F)c5)n4)CCC3)cn2)cn1
InChIKey: XYNYWAHZKGCHSD-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 7.4 nM (pChEMBL 8.130000114440918)
Descriptors: MW 410.39, ALogP 3.23, HBA 9, HBD 1, PSA 121.43, QED 0.53
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CCF)c5)n4)CCC3)cn2)cn1
InChIKey: JLCDEBRQFXZUKI-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 9.5 nM (pChEMBL 8.020000457763672)
Descriptors: MW 406.43, ALogP 2.81, HBA 9, HBD 1, PSA 121.43, QED 0.52
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(F)F)c5)n4)CCC3)cn2)cn1
InChIKey: WLAGLTNNXYUTAG-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 6.1 nM (pChEMBL 8.210000038146973)
Descriptors: MW 424.42, ALogP 3.1, HBA 9, HBD 1, PSA 121.43, QED 0.5
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(F)(F)F)c5)n4)CCC3)cn2)cn1
InChIKey: XTWPHZBUBVXJQR-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 7.6 nM (pChEMBL 8.119999885559082)
Descriptors: MW 442.41, ALogP 3.4, HBA 9, HBD 1, PSA 121.43, QED 0.5
Compound (SMILES): NC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: JCJLOOKQPMRSDO-UHFFFAOYSA-N
Target: Arachidonate 5-lipoxygenase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P20292
Assay: Binding Assay: Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 417.43, ALogP 1.32, HBA 10, HBD 2, PSA 164.52, QED 0.47