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5 similar compounds to monomer 50176065

Compile data set for download or QSAR
Wt: 446.5
BDBM50094474
Purchase
Wt: 452.6
BDBM50104746
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Wt: 374.8
BDBM50094471
Wt: 447.4
BDBM50094475

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50094474,50104746,50094471,50094475   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094471
PNG
(CHEMBL3590120)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccncc1NC(=O)C=C
Show InChI InChI=1S/C22H27NO3/c1-17(2)23-15-13-20(14-16-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,25H,13-16H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
BindingDB Entry DOI: 10.7270/Q2V989SJ
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Sus scrofa)
BDBM50104746
PNG
(GANODERIC ACID S | Ganoderic Acid S)
Show SMILES C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
Show InChI InChI=1S/C30H44O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,14,19,21,24H,8-9,12-13,15-18H2,1-7H3,(H,32,33)/b20-10-/t19-,21-,24+,28-,29-,30+/m1/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method


J Nat Prod 78: 1977-89 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00331
BindingDB Entry DOI: 10.7270/Q23R0VN0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094471
PNG
(CHEMBL3590120)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccncc1NC(=O)C=C
Show InChI InChI=1S/C22H27NO3/c1-17(2)23-15-13-20(14-16-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,25H,13-16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
BindingDB Entry DOI: 10.7270/Q2V989SJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094471
PNG
(CHEMBL3590120)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccncc1NC(=O)C=C
Show InChI InChI=1S/C22H27NO3/c1-17(2)23-15-13-20(14-16-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,25H,13-16H2,1-2H3
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n/an/a 6.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
BindingDB Entry DOI: 10.7270/Q2V989SJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50094474
PNG
(CHEMBL3590220)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ...


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50094475
PNG
(CHEMBL3590221)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ncc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3
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n/an/a 21n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PI3Kalpha using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins ...


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50094474
PNG
(CHEMBL3590220)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PI3Kbeta using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins b...


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50094475
PNG
(CHEMBL3590221)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ncc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3
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n/an/a 650n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PI3Kbeta using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins b...


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50094475
PNG
(CHEMBL3590221)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ncc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3
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n/an/a 140n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human BT474 cells assessed as inhibition of Akt phosphorylation at Tyr-308 after 2 hrs by ELISA


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50094474
PNG
(CHEMBL3590220)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
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n/an/a 250n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha in human BT474 cells assessed as inhibition of Akt phosphorylation at Tyr-308 after 2 hrs by ELISA


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50094475
PNG
(CHEMBL3590221)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ncc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3
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n/an/a 210n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50094474
PNG
(CHEMBL3590220)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
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n/an/a 170n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50094474
PNG
(CHEMBL3590220)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ccc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation at Ser-473 after 2 hrs by ELISA


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50094475
PNG
(CHEMBL3590221)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1ncc(n1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation at Ser-473 after 2 hrs by ELISA


Bioorg Med Chem Lett 25: 2679-85 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.084
BindingDB Entry DOI: 10.7270/Q2QJ7K1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094471
PNG
(CHEMBL3590120)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccncc1NC(=O)C=C
Show InChI InChI=1S/C22H27NO3/c1-17(2)23-15-13-20(14-16-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,25H,13-16H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
BindingDB Entry DOI: 10.7270/Q2V989SJ
More data for this
Ligand-Target Pair