lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]c5)n4)CCC3)cn2)cn1
InChIKey: YFALXHJCTJGLMG-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 nM (pChEMBL 8.149999618530273)
Descriptors: MW 360.38, ALogP 2.36, HBA 8, HBD 2, PSA 132.29, QED 0.57
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cc[nH]c(=O)c5)n4)CCC3)cn2)cn1
InChIKey: LVXCREHGCJJKML-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 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 387.4, ALogP 2.33, HBA 8, HBD 2, PSA 136.47, QED 0.54
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccncn5)n4)CCC3)cn2)cn1
InChIKey: YMYDZAVXHKVOES-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 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 372.39, ALogP 2.43, HBA 9, HBD 1, PSA 129.39, QED 0.57
Compound (SMILES): COc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)ccn1
InChIKey: BSXXGZOLVDWETH-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 = 9.6 nM (pChEMBL 8.020000457763672)
Descriptors: MW 401.43, ALogP 3.04, HBA 9, HBD 1, PSA 125.73, QED 0.54
Compound (SMILES): Cc1nc(C)c(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)s1
InChIKey: UBKWOJYVTLEBRY-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 = 8.1 nM (pChEMBL 8.09000015258789)
Descriptors: MW 405.49, ALogP 3.71, HBA 9, HBD 1, PSA 116.5, QED 0.55
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc[nH]c5=O)n4)CCC3)cn2)cn1
InChIKey: QLRFZDMVICKFFV-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 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 387.4, ALogP 2.33, HBA 8, HBD 2, PSA 136.47, QED 0.54
Compound (SMILES): COc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)c(OC)n1
InChIKey: PAJMUQHNRZFRQN-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 = 7.3 nM (pChEMBL 8.140000343322754)
Descriptors: MW 431.46, ALogP 3.05, HBA 10, HBD 1, PSA 134.96, QED 0.48
Compound (SMILES): Cc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)c(=O)[nH]1
InChIKey: BXJRXMRVGZUBJB-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 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 401.43, ALogP 2.64, HBA 8, HBD 2, PSA 136.47, QED 0.53
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnco5)n4)CCC3)cn2)cn1
InChIKey: KLWATVUTLSETIQ-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(-c5ccc(Cl)nc5)n4)CCC3)cn2)cn1
InChIKey: UBJOASYKDVKMOY-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 = 7.5 nM (pChEMBL 8.119999885559082)
Descriptors: MW 405.85, ALogP 3.69, HBA 8, HBD 1, PSA 116.5, QED 0.51
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cncnc5)n4)CCC3)cn2)cn1
InChIKey: BHLKOXHYDKVFJI-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 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 372.39, ALogP 2.43, HBA 9, HBD 1, PSA 129.39, QED 0.57
Compound (SMILES): Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)ccn1
InChIKey: GLAZOVCADTXRIS-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 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 385.43, ALogP 3.34, HBA 8, HBD 1, PSA 116.5, QED 0.57
Compound (SMILES): Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: DNIONESFABVQQY-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 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 374.41, ALogP 2.37, HBA 9, HBD 1, PSA 121.43, QED 0.58
Compound (SMILES): Cc1n[nH]c(C)c1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1
InChIKey: CTHZVKYGUUCWQH-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 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 388.44, ALogP 2.98, HBA 8, HBD 2, PSA 132.29, QED 0.55
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccnnc5)n4)CCC3)cn2)cn1
InChIKey: OICPAXORCQCMAA-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 372.39, ALogP 2.43, HBA 9, HBD 1, PSA 129.39, QED 0.57
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5N)n4)CCC3)cn2)cn1
InChIKey: ORVXSERDLUYTQK-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 386.42, ALogP 2.62, HBA 9, HBD 2, PSA 142.52, QED 0.54
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnccc5N)n4)CCC3)cn2)cn1
InChIKey: POTCLRWCDMGYHH-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 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 386.42, ALogP 2.62, HBA 9, HBD 2, PSA 142.52, QED 0.54
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnccc5O)n4)CCC3)cn2)cn1
InChIKey: VBUAYVNBKPQCCW-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 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 387.4, ALogP 2.74, HBA 9, HBD 2, PSA 136.73, QED 0.54
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(=O)[nH]c5)n4)CCC3)cn2)cn1
InChIKey: CTVVBKGCCVTDHX-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 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 387.4, ALogP 2.33, HBA 8, HBD 2, PSA 136.47, QED 0.54
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5C(F)(F)F)n4)CCC3)cn2)cn1
InChIKey: KCXAJRLJJCJUIV-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 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 439.4, ALogP 4.05, HBA 8, HBD 1, PSA 116.5, QED 0.51
Compound (SMILES): CN(C)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: WUFSUJYZUUJHAA-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 414.47, ALogP 3.1, HBA 9, HBD 1, PSA 119.74, QED 0.52
Compound (SMILES): Nc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: FNNHQAJFUIQHHJ-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 = 4.2 nM (pChEMBL 8.380000114440918)
Descriptors: MW 386.42, ALogP 2.62, HBA 9, HBD 2, PSA 142.52, QED 0.54
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCCC6)nc5)n4)CCC3)cn2)cn1
InChIKey: MHJYWABAAFHALX-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 = 3.3 nM (pChEMBL 8.479999542236328)
Descriptors: MW 440.51, ALogP 3.64, HBA 9, HBD 1, PSA 119.74, QED 0.5
Compound (SMILES): CNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: SHBRIVXUQFYHNI-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 400.45, ALogP 3.08, HBA 9, HBD 2, PSA 128.53, QED 0.52
Compound (SMILES): CC(C)Nc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: DVANMRAYTATCPG-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 = 1.5 nM (pChEMBL 8.819999694824219)
Descriptors: MW 428.5, ALogP 3.86, HBA 9, HBD 2, PSA 128.53, QED 0.47
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(NCCO)nc5)n4)CCC3)cn2)cn1
InChIKey: GDFNFNBFOVSJBQ-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 430.47, ALogP 2.44, HBA 10, HBD 3, PSA 148.76, QED 0.4
Compound (SMILES): CN(CCO)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: LVUKGWNFLMYVBR-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 = 4.3 nM (pChEMBL 8.369999885559082)
Descriptors: MW 444.5, ALogP 2.46, HBA 10, HBD 2, PSA 139.97, QED 0.44
Compound (SMILES): COCCN(C)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: FHDIBSPSPYSTSV-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 nM (pChEMBL 8.520000457763672)
Descriptors: MW 458.53, ALogP 3.12, HBA 10, HBD 1, PSA 128.97, QED 0.42
Compound (SMILES): COCCNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: XJCOBLPEAJZIGO-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 = 2.8 nM (pChEMBL 8.550000190734863)
Descriptors: MW 444.5, ALogP 3.09, HBA 10, HBD 2, PSA 137.76, QED 0.39
Compound (SMILES): CS(=O)(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: JFGMCJPDXFLSCD-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 = 62 nM (pChEMBL 7.210000038146973)
Descriptors: MW 449.5, ALogP 2.44, HBA 10, HBD 1, PSA 150.64, QED 0.48
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5nc[nH]n5)n4)CCC3)cn2)cn1
InChIKey: SGBKFNDTHOVIIQ-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 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 361.37, ALogP 1.76, HBA 9, HBD 2, PSA 145.18, QED 0.55
Compound (SMILES): Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)n(C)n1
InChIKey: RZGFEQVPQFHNPL-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 388.44, ALogP 2.68, HBA 9, HBD 1, PSA 121.43, QED 0.57
Compound (SMILES): CNc1ncccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1
InChIKey: CXDRXJHKGSMBQC-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 400.45, ALogP 3.08, HBA 9, HBD 2, PSA 128.53, QED 0.52
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cncs5)n4)CCC3)cn2)cn1
InChIKey: KBDPCDICNLCRQN-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 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 377.43, ALogP 3.1, HBA 9, HBD 1, PSA 116.5, QED 0.58
Compound (SMILES): Cn1nccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1
InChIKey: MLICALZTYOMBSK-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 374.41, ALogP 2.37, HBA 9, HBD 1, PSA 121.43, QED 0.58
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCNC(=O)C6)nc5)n4)CCC3)cn2)cn1
InChIKey: GKHXEQMWOLBHPN-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 469.51, ALogP 1.97, HBA 10, HBD 2, PSA 148.84, QED 0.44
Compound (SMILES): CN(C)c1ncccc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1
InChIKey: YAQNWCMDLUHJQN-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 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 414.47, ALogP 3.1, HBA 9, HBD 1, PSA 119.74, QED 0.52
Compound (SMILES): Cn1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)n1
InChIKey: APGCHGODXNGUTQ-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 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 374.41, ALogP 2.37, HBA 9, HBD 1, PSA 121.43, QED 0.58
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5N5CCOCC5)n4)CCC3)cn2)cn1
InChIKey: WZTUEXFYVNCSSM-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 = 66 nM (pChEMBL 7.179999828338623)
Descriptors: MW 456.51, ALogP 2.87, HBA 10, HBD 1, PSA 128.97, QED 0.48
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnccn5)n4)CCC3)cn2)cn1
InChIKey: JRRODXDDCGNNDP-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 = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 372.39, ALogP 2.43, HBA 9, HBD 1, PSA 129.39, QED 0.57
Compound (SMILES): Cc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: NYWHRANFOZUPSG-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 386.42, ALogP 2.74, HBA 9, HBD 1, PSA 129.39, QED 0.56
Compound (SMILES): Cn1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)c1
InChIKey: MIELDUFNMQGWPG-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 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 374.41, ALogP 2.37, HBA 9, HBD 1, PSA 121.43, QED 0.58
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]c5)n4)CCC3)nc2)cn1
InChIKey: OGSUXRZOULCZGM-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 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 360.38, ALogP 2.36, HBA 8, HBD 2, PSA 132.29, QED 0.57
Compound (SMILES): Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)no2)[nH]n1
InChIKey: IICYJPSPLINCAL-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 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 374.41, ALogP 2.67, HBA 8, HBD 2, PSA 132.29, QED 0.56
Compound (SMILES): Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)no2)cn1
InChIKey: NCKPUAHDRNNIHZ-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 = 81 nM (pChEMBL 7.090000152587891)
Descriptors: MW 374.41, ALogP 2.37, HBA 9, HBD 1, PSA 121.43, QED 0.58
Compound (SMILES): Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cn4)CCOCC3)no2)n(C)n1
InChIKey: RPTGQALNVLBJTQ-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 = 540 nM (pChEMBL 6.269999980926514)
Descriptors: MW 418.46, ALogP 2.31, HBA 10, HBD 1, PSA 130.66, QED 0.53
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5)n4)CCOCC3)nc2)cn1
InChIKey: SNNYIXNJNLGHMD-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 = 580 nM (pChEMBL 6.239999771118164)
Descriptors: MW 401.43, ALogP 2.66, HBA 9, HBD 1, PSA 125.73, QED 0.55
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5ccncc5)n4)CCOCC3)nc2)cn1
InChIKey: JAZRGPJQQHVCMM-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 = 970 nM (pChEMBL 6.010000228881836)
Descriptors: MW 401.43, ALogP 2.66, HBA 9, HBD 1, PSA 125.73, QED 0.55
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C6CCS(=O)(=O)C6)c5)n4)CCC3)cn2)cn1
InChIKey: SOGPQVQXOYSXEY-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 478.54, ALogP 2.2, HBA 11, HBD 1, PSA 155.57, QED 0.45
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CCN6CCOCC6)c5)n4)CCC3)cn2)cn1
InChIKey: ZRMQYGKWCWVTFI-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 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 473.54, ALogP 2.17, HBA 11, HBD 1, PSA 133.9, QED 0.43
Compound (SMILES): N#CCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: ZIIPKKHJKVZLLH-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 399.42, ALogP 2.36, HBA 10, HBD 1, PSA 145.22, QED 0.53
Compound (SMILES): CN(C)CCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: HAZOZAVUBCMEGO-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 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 431.5, ALogP 2.4, HBA 10, HBD 1, PSA 124.67, QED 0.47
Compound (SMILES): CN(C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1)C(C)(C)C
InChIKey: HTELJZKEPOOTIK-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 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 487.57, ALogP 3.09, HBA 10, HBD 1, PSA 141.74, QED 0.43
Compound (SMILES): CC(C)(C)NC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: MGQUKLBZFFHVLX-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 = 195 nM (pChEMBL 6.710000038146973)
Descriptors: MW 473.54, ALogP 2.75, HBA 10, HBD 2, PSA 150.53, QED 0.43
Compound (SMILES): Nc1cnc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cn2)cn1
InChIKey: JNJGUWUQCUBZRF-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 = 8.3 nM (pChEMBL 8.079999923706055)
Descriptors: MW 416.45, ALogP 2.41, HBA 10, HBD 1, PSA 130.66, QED 0.52
Compound (SMILES): CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1
InChIKey: KHROMXIOJHGTAD-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 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 432.49, ALogP 2.61, HBA 10, HBD 2, PSA 141.66, QED 0.47
Compound (SMILES): CC(C)(Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1)C(N)=O
InChIKey: WZWKDWBLERAHRO-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 = 65 nM (pChEMBL 7.190000057220459)
Descriptors: MW 459.51, ALogP 2.35, HBA 10, HBD 2, PSA 164.52, QED 0.42
Compound (SMILES): CC(C)(C(N)=O)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: KTCMLQGXNOXASY-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 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 445.49, ALogP 2.06, HBA 10, HBD 2, PSA 164.52, QED 0.45
Compound (SMILES): CC(C)(N)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: FYXBWHLOIFRYBO-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 = 68 nM (pChEMBL 7.170000076293945)
Descriptors: MW 431.5, ALogP 2.57, HBA 10, HBD 2, PSA 147.45, QED 0.47
Compound (SMILES): CC(C)(C#N)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: CBZQTDDFYHAQDT-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 = 94 nM (pChEMBL 7.03000020980835)
Descriptors: MW 427.47, ALogP 3.1, HBA 10, HBD 1, PSA 145.22, QED 0.51
Compound (SMILES): Nc1ccc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cn2)cn1
InChIKey: VIBVAXDIZBKQDW-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 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 415.46, ALogP 3.01, HBA 9, HBD 1, PSA 117.77, QED 0.53
Compound (SMILES): CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: NCBSEGKRBYGCQE-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 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 431.5, ALogP 3.21, HBA 9, HBD 2, PSA 128.77, QED 0.48
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(N5CCC(O)CC5)n4)CCC3)cn2)cn1
InChIKey: UBBBCORMCZKJOS-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 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 393.45, ALogP 1.93, HBA 9, HBD 2, PSA 127.08, QED 0.68
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)NC6CC6)c5)n4)CCC3)cn2)cn1
InChIKey: BJCDYEYADPABJN-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 = 63 nM (pChEMBL 7.199999809265137)
Descriptors: MW 457.5, ALogP 2.12, HBA 10, HBD 2, PSA 150.53, QED 0.43
Compound (SMILES): Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)NCC6CCCO6)c5)n4)CCC3)cn2)cn1
InChIKey: OLINZFONJPUTOG-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 = 97 nM (pChEMBL 7.010000228881836)
Descriptors: MW 501.55, ALogP 2.13, HBA 11, HBD 2, PSA 159.76, QED 0.37
Compound (SMILES): CC(C)NC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: ZXCQWVAQJOBYAN-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 = 79 nM (pChEMBL 7.099999904632568)
Descriptors: MW 459.51, ALogP 2.36, HBA 10, HBD 2, PSA 150.53, QED 0.42
Compound (SMILES): CCNC(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: UVEADRQOPYUGQS-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 = 100 nM (pChEMBL 7)
Descriptors: MW 445.49, ALogP 1.97, HBA 10, HBD 2, PSA 150.53, QED 0.43
Compound (SMILES): CN(CC1CCCO1)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: HCTLKQWZSFFUHE-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 515.58, ALogP 2.47, HBA 11, HBD 1, PSA 150.97, QED 0.37
Compound (SMILES): CN(C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1)C1CC1
InChIKey: DYMKWFWLYIYPAX-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 = 95 nM (pChEMBL 7.019999980926514)
Descriptors: MW 471.53, ALogP 2.46, HBA 10, HBD 1, PSA 141.74, QED 0.43
Compound (SMILES): COC1CCN(C(=O)Cn2cc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)C1
InChIKey: CJHQYXHQIPWVKY-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 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 501.55, ALogP 2.08, HBA 11, HBD 1, PSA 150.97, QED 0.4
Compound (SMILES): CCN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: BZOOMFPZOKDQMD-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 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 459.51, ALogP 2.32, HBA 10, HBD 1, PSA 141.74, QED 0.44
Compound (SMILES): CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)nc4)CCC3)no2)cn1
InChIKey: VSKDNFOPVJYCPJ-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 444.5, ALogP 2.53, HBA 9, HBD 1, PSA 128.85, QED 0.48
Compound (SMILES): CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1
InChIKey: RRRCHPIMPDAMDU-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 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 445.49, ALogP 1.93, HBA 10, HBD 1, PSA 141.74, QED 0.47
Compound (SMILES): CNc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(C)(C)O)c5)n4)CCC3)cn2)cn1
InChIKey: WSFOSOBZZLDQRJ-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 = 73 nM (pChEMBL 7.139999866485596)
Descriptors: MW 446.52, ALogP 3.07, HBA 10, HBD 2, PSA 127.67, QED 0.44
Compound (SMILES): CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)c(C#N)c5)nc4)CCC3)no2)cn1
InChIKey: BOOVWLSKEVNTQS-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 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 456.51, ALogP 3.08, HBA 10, HBD 2, PSA 152.56, QED 0.45
Compound (SMILES): N#Cc1cc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cn2)cnc1N
InChIKey: YLIXWNCZLWYGTM-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 440.47, ALogP 2.89, HBA 10, HBD 1, PSA 141.56, QED 0.5
Compound (SMILES): CNc1cnc(-c2ccc(C3(c4noc(-c5cnn(C)c5)n4)CCC3)cn2)cn1
InChIKey: QDELDABBWWAQRY-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 388.44, ALogP 2.83, HBA 9, HBD 1, PSA 107.44, QED 0.56