lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: Inhibition of partial length human JAK2 expressed in bacterial system
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 502.57, ALogP 5.32, HBA 5, HBD 3, PSA 114, QED 0.3
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-gene-transfected cell line HEK293/pcDNA3.1, Cisplatin treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 991 nM (pChEMBL 6)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): c1ccc2cc(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncc2c1
InChIKey: ZDTPXUKLGIDOCS-SFHVURJKSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Homo sapiens
UniProt: P43681
Assay: Agonist activity at alpha4beta2 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 308.39, ALogP 2.5, HBA 5, HBD 1, PSA 49.75, QED 0.88
Compound (SMILES): Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
Target: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: Inhibition of BTK in human tonsillar B cells assessed as suppression of BCR/anti-IgM/IgG stimulated cell proliferation
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 502.57, ALogP 5.32, HBA 5, HBD 3, PSA 114, QED 0.3
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-gene-transfected cell line HEK293/pcDNA3.1, Cisplatin treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 906 nM (pChEMBL 6.039999961853027)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): c1ccc2cc(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncc2c1
InChIKey: ZDTPXUKLGIDOCS-SFHVURJKSA-N
Target: Neuronal acetylcholine receptor; alpha3/beta4 (PROTEIN COMPLEX), Homo sapiens
UniProt: P32297
Assay: Agonist activity at alpha3beta4 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 308.39, ALogP 2.5, HBA 5, HBD 1, PSA 49.75, QED 0.88
Compound (SMILES): Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
Target: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: Inhibition of BTK in human peripheral B cells assessed as suppression of BCR/anti-IgM/IgG stimulated CD69 surface expression after 18 hrs by FACS analysis
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 502.57, ALogP 5.32, HBA 5, HBD 3, PSA 114, QED 0.3
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-gene-transfected cell line HEK293/ABCB1, Doxorubicin treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1233 nM (pChEMBL 5.909999847412109)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): c1ccc2cc(NC3=NC[C@@]4(CN5CCC4CC5)O3)ncc2c1
InChIKey: ZDTPXUKLGIDOCS-SFHVURJKSA-N
Target: Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon (PROTEIN COMPLEX), Homo sapiens
UniProt: Q04844
Assay: Agonist activity at alpha1beta1deltaepsilon nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay
Measurement: EC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 308.39, ALogP 2.5, HBA 5, HBD 1, PSA 49.75, QED 0.88
Compound (SMILES): Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
Target: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: Inhibition of BTK in human peripheral B cells assessed as suppression of CD40/CD40L stimulated CD69 surface expression
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 502.57, ALogP 5.32, HBA 5, HBD 3, PSA 114, QED 0.3
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-gene-transfected cell line HEK293/ABCB1, Doxorubicin treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 963 nM (pChEMBL 6.019999980926514)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
Target: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: Inhibition of BTK in human PBMC assessed as suppression of FCgamma2aR/FCgamma3R stimulated TNFalpha production after 7 hrs by ELISA
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 502.57, ALogP 5.32, HBA 5, HBD 3, PSA 114, QED 0.3
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-gene-transfected cell line HEK293/ABCB1, Doxorubicin treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 501 nM (pChEMBL 6.300000190734863)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
Target: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: Inhibition of BTK in human whole blood assessed as suppression of BCR/anti-IgM stimulated CD69 surface expression on B cells after 18 hrs by FACS analysis
Measurement: IC50 = 550 nM (pChEMBL 6.260000228881836)
Descriptors: MW 502.57, ALogP 5.32, HBA 5, HBD 3, PSA 114, QED 0.3
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-gene-transfected cell line HEK293/ABCB1, Paclitaxel treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 2684 nM (pChEMBL 5.570000171661377)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
Target: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Mus musculus
UniProt: P35991
Assay: Inhibition of BTK in mouse whole blood assessed as suppression of BCR/anti-IgM stimulated CD69 surface expression on B cells after 18 hrs by FACS analysis
Measurement: IC50 = 2060 nM (pChEMBL 5.690000057220459)
Descriptors: MW 502.57, ALogP 5.32, HBA 5, HBD 3, PSA 114, QED 0.3
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-gene-transfected cell line HEK293/ABCB1, Paclitaxel treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1716 nM (pChEMBL 5.760000228881836)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
Target: Cytochrome P450 1A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P05177
Assay: Inhibition of human liver microsomes CYP1A2 after 30 mins in presence of NADPH
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 502.57, ALogP 5.32, HBA 5, HBD 3, PSA 114, QED 0.3
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-gene-transfected cell line HEK293/ABCB1, Paclitaxel treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 116 nM (pChEMBL 6.940000057220459)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
Target: Cytochrome P450 2B6 (SINGLE PROTEIN), Homo sapiens
UniProt: P20813
Assay: Inhibition of human liver microsomes CYP2B6 after 30 mins in presence of NADPH
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 502.57, ALogP 5.32, HBA 5, HBD 3, PSA 114, QED 0.3
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-gene-transfected cell line HEK293/ABCB1, Cisplatin treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1283 nM (pChEMBL 5.889999866485596)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
Target: Cytochrome P450 2D6 (SINGLE PROTEIN), Homo sapiens
UniProt: P10635
Assay: Inhibition of human liver microsomes CYP2D6 after 30 mins in presence of NADPH
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 502.57, ALogP 5.32, HBA 5, HBD 3, PSA 114, QED 0.3
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-gene-transfected cell line HEK293/ABCB1, Cisplatin treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1469 nM (pChEMBL 5.829999923706055)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
Target: Cytochrome P450 3A4 (SINGLE PROTEIN), Homo sapiens
UniProt: P08684
Assay: Inhibition of human liver microsomes CYP3A4 after 30 mins in presence of NADPH
Measurement: IC50 > 40000 nM (pChEMBL 4.3979997634887695)
Descriptors: MW 502.57, ALogP 5.32, HBA 5, HBD 3, PSA 114, QED 0.3
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-gene-transfected cell line HEK293/ABCB1, Cisplatin treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1581 nM (pChEMBL 5.800000190734863)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
Target: Cytochrome P450 2C9 (SINGLE PROTEIN), Homo sapiens
UniProt: P11712
Assay: Inhibition of human liver microsomes CYP2C9 after 30 mins in presence of NADPH
Measurement: IC50 > 8000 nM (pChEMBL 5.0970001220703125)
Descriptors: MW 502.57, ALogP 5.32, HBA 5, HBD 3, PSA 114, QED 0.3
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-3-1, Doxorubicin treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
Target: Cytochrome P450 2C8 (SINGLE PROTEIN), Homo sapiens
UniProt: P10632
Assay: Inhibition of human liver microsomes CYP2C8 after 30 mins in presence of NADPH
Measurement: IC50 > 8000 nM (pChEMBL 5.0970001220703125)
Descriptors: MW 502.57, ALogP 5.32, HBA 5, HBD 3, PSA 114, QED 0.3
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-3-1, Doxorubicin treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 32 nM (pChEMBL 7.5)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of human ERG by patch clamp assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 502.57, ALogP 5.32, HBA 5, HBD 3, PSA 114, QED 0.3
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-3-1, Doxorubicin treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-3-1, Paclitaxel treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-3-1, Paclitaxel treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-3-1, Paclitaxel treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-3-1, Cisplatin treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1381 nM (pChEMBL 5.860000133514404)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-3-1, Cisplatin treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1734 nM (pChEMBL 5.760000228881836)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-3-1, Cisplatin treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1917 nM (pChEMBL 5.71999979019165)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-C2, Doxorubicin treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 4792 nM (pChEMBL 5.320000171661377)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-C2, Doxorubicin treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 3332 nM (pChEMBL 5.480000019073486)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-C2, Doxorubicin treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 368 nM (pChEMBL 6.429999828338623)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-C2, Paclitaxel treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 3007 nM (pChEMBL 5.519999980926514)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-C2, Paclitaxel treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 2291 nM (pChEMBL 5.639999866485596)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-C2, Paclitaxel treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 125 nM (pChEMBL 6.900000095367432)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-C2, Cisplatin treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 2267 nM (pChEMBL 5.639999866485596)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-C2, Cisplatin treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 2405 nM (pChEMBL 5.619999885559082)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line KB-C2, Cisplatin treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 2546 nM (pChEMBL 5.590000152587891)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620, Doxorubicin treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620, Doxorubicin treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620, Doxorubicin treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 55 nM (pChEMBL 7.260000228881836)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620, Paclitaxel treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620, Paclitaxel treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620, Paclitaxel treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620, Cisplatin treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1159 nM (pChEMBL 5.940000057220459)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620, Cisplatin treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1134 nM (pChEMBL 5.949999809265137)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620, Cisplatin treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1488 nM (pChEMBL 5.829999923706055)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620/Ad300, Doxorubicin treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 2487 nM (pChEMBL 5.599999904632568)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620/Ad300, Doxorubicin treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1731 nM (pChEMBL 5.760000228881836)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620/Ad300, Doxorubicin treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 367 nM (pChEMBL 6.429999828338623)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620/Ad300, Paclitaxel treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1587 nM (pChEMBL 5.800000190734863)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620/Ad300, Paclitaxel treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1059 nM (pChEMBL 5.96999979019165)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620/Ad300, Paclitaxel treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 219 nM (pChEMBL 6.659999847412109)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620/Ad300, Cisplatin treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1303 nM (pChEMBL 5.880000114440918)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620/Ad300, Cisplatin treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1588 nM (pChEMBL 5.800000190734863)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCB1-substrate-selected resistant cell line SW620/Ad300, Cisplatin treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1140 nM (pChEMBL 5.940000057220459)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460, Mitoxantrone treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460, Mitoxantrone treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460, Mitoxantrone treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460, SN-38 treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460, SN-38 treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460, SN-38 treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460, Topotecan treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 66 nM (pChEMBL 7.179999828338623)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460, Topotecan treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 49 nM (pChEMBL 7.309999942779541)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460, Topotecan treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460, Cisplatin treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 2061 nM (pChEMBL 5.690000057220459)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460, Cisplatin treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1580 nM (pChEMBL 5.800000190734863)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460, Cisplatin treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 1621 nM (pChEMBL 5.789999961853027)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460/MX20, Mitoxantrone treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 5139 nM (pChEMBL 5.289999961853027)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460/MX20, Mitoxantrone treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 557 nM (pChEMBL 6.25)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460/MX20, Mitoxantrone treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 385 nM (pChEMBL 6.420000076293945)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460/MX20, SN-38 treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 3493 nM (pChEMBL 5.460000038146973)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460/MX20, SN-38 treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 463 nM (pChEMBL 6.329999923706055)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460/MX20, SN-38 treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 178 nM (pChEMBL 6.75)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460/MX20, Topotecan treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 4113 nM (pChEMBL 5.389999866485596)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460/MX20, Topotecan treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 909 nM (pChEMBL 6.039999961853027)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460/MX20, Topotecan treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 311 nM (pChEMBL 6.510000228881836)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460/MX20, Cisplatin treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 2889 nM (pChEMBL 5.539999961853027)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460/MX20, Cisplatin treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 2928 nM (pChEMBL 5.53000020980835)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line NCI-H460/MX20, Cisplatin treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 2813 nM (pChEMBL 5.550000190734863)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line S1, Mitoxantrone treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line S1, Mitoxantrone treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line S1, Mitoxantrone treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line S1, SN-38 treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line S1, SN-38 treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 61 nM (pChEMBL 7.210000038146973)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line S1, SN-38 treatment, using 10 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 56 nM (pChEMBL 7.25)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line S1, Topotecan treatment, using 0 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 65 nM (pChEMBL 7.190000057220459)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47
Compound (SMILES): Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
InChIKey: YIDDLAAKOYYGJG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99683
Assay: Affinity Phenotypic Cellular interaction: (MTT assay (ABCG2-substrate-selected resistant cell line S1, Topotecan treatment, using 3 uM Selonsertib)) EUB0000695a MAP3K5
Measurement: IC50 = 61 nM (pChEMBL 7.210000038146973)
Descriptors: MW 445.5, ALogP 4.68, HBA 7, HBD 1, PSA 90.52, QED 0.47