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30 similar compounds to monomer 50091349

Compile data set for download or QSAR
Wt: 361.4
BDBM50052030
Purchase
Wt: 493.5
BDBM50235113
Wt: 421.5
BDBM50235092
Wt: 562.6
BDBM50235093
Wt: 479.5
BDBM50235098
Wt: 347.4
BDBM50013890
Purchase
Wt: 371.3
BDBM50013896
Wt: 371.3
BDBM50013897
Wt: 443.4
BDBM50013898
Wt: 449.2
BDBM50013899
Wt: 415.3
BDBM50013900
Wt: 428.4
BDBM50013902
Wt: 384.4
BDBM50013905
Wt: 346.3
BDBM50013906
Wt: 419.9
BDBM50013914
Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50052030,50235113,50235092,50235093,50235098,50013890,50013896,50013897,50013898,50013899,50013900,50013902,50013905,50013906,50013914   
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50013890
PNG
(CHEMBL3265288)
Show SMILES Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C17H21N3O3S/c1-11-10-24-17(19-13-5-3-2-4-6-13)20(11)18-9-12-7-8-14(21)16(23)15(12)22/h7-10,13,21-23H,2-6H2,1H3/b18-9+,19-17-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLX-L (1 to 209) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50235098
PNG
(2-(4-(2-(4-(quinolin-2-ylmethoxy)phenyl)bicyclo[2....)
Show SMILES OC(=O)COc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C31H29NO4/c33-30(34)20-36-28-15-10-24(11-16-28)31(18-21-5-7-25(31)17-21)23-8-13-27(14-9-23)35-19-26-12-6-22-3-1-2-4-29(22)32-26/h1-4,6,8-16,21,25H,5,7,17-20H2,(H,33,34)
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n/an/a 98n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50013896
PNG
(CHEMBL3260481)
Show SMILES Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-n1ccc2ncccc12
Show InChI InChI=1S/C22H17N3O3/c26-20-11-21(27)19(25-9-7-17-18(25)6-3-8-23-17)10-16(20)22(28)24-12-14-4-1-2-5-15(14)13-24/h1-11,26-27H,12-13H2
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n/an/a 130n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization as...


Bioorg Med Chem Lett 24: 2525-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.100
BindingDB Entry DOI: 10.7270/Q2QF8VDC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50013897
PNG
(CHEMBL3260482)
Show SMILES Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-n1ccc2cnccc12
Show InChI InChI=1S/C22H17N3O3/c26-20-10-21(27)19(25-8-6-14-11-23-7-5-18(14)25)9-17(20)22(28)24-12-15-3-1-2-4-16(15)13-24/h1-11,26-27H,12-13H2
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n/an/a 250n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization as...


Bioorg Med Chem Lett 24: 2525-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.100
BindingDB Entry DOI: 10.7270/Q2QF8VDC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50013898
PNG
(CHEMBL3260483)
Show SMILES COc1ccc2n(cc(CCN)c2c1)-c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
Show InChI InChI=1S/C26H25N3O4/c1-33-19-6-7-22-20(10-19)18(8-9-27)15-29(22)23-11-21(24(30)12-25(23)31)26(32)28-13-16-4-2-3-5-17(16)14-28/h2-7,10-12,15,30-31H,8-9,13-14,27H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization as...


Bioorg Med Chem Lett 24: 2525-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.100
BindingDB Entry DOI: 10.7270/Q2QF8VDC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50013899
PNG
(CHEMBL3260486)
Show SMILES Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-n1ccc2c(Br)cccc12
Show InChI InChI=1S/C23H17BrN2O3/c24-18-6-3-7-19-16(18)8-9-26(19)20-10-17(21(27)11-22(20)28)23(29)25-12-14-4-1-2-5-15(14)13-25/h1-11,27-28H,12-13H2
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n/an/a 70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization as...


Bioorg Med Chem Lett 24: 2525-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.100
BindingDB Entry DOI: 10.7270/Q2QF8VDC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50013900
PNG
(CHEMBL3260487)
Show SMILES Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-n1ccc2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C23H17N3O5/c27-21-11-22(28)20(25-9-8-16-18(25)6-3-7-19(16)26(30)31)10-17(21)23(29)24-12-14-4-1-2-5-15(14)13-24/h1-11,27-28H,12-13H2
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n/an/a 39n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization as...


Bioorg Med Chem Lett 24: 2525-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.100
BindingDB Entry DOI: 10.7270/Q2QF8VDC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50013902
PNG
(CHEMBL3260488)
Show SMILES COC(=O)c1cccc2n(ccc12)-c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
Show InChI InChI=1S/C25H20N2O5/c1-32-25(31)18-7-4-8-20-17(18)9-10-27(20)21-11-19(22(28)12-23(21)29)24(30)26-13-15-5-2-3-6-16(15)14-26/h2-12,28-29H,13-14H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization as...


Bioorg Med Chem Lett 24: 2525-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.100
BindingDB Entry DOI: 10.7270/Q2QF8VDC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50013905
PNG
(CHEMBL3260491)
Show SMILES Cc1ccc2n(ccc2c1)-c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
Show InChI InChI=1S/C24H20N2O3/c1-15-6-7-20-16(10-15)8-9-26(20)21-11-19(22(27)12-23(21)28)24(29)25-13-17-4-2-3-5-18(17)14-25/h2-12,27-28H,13-14H2,1H3
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n/an/a 38n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization as...


Bioorg Med Chem Lett 24: 2525-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.100
BindingDB Entry DOI: 10.7270/Q2QF8VDC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50013906
PNG
(CHEMBL3260492)
Show SMILES Oc1cc(O)c(cc1Nc1ccccc1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C21H18N2O3/c24-19-11-20(25)18(22-16-8-2-1-3-9-16)10-17(19)21(26)23-12-14-6-4-5-7-15(14)13-23/h1-11,22,24-25H,12-13H2
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n/an/a 21n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization as...


Bioorg Med Chem Lett 24: 2525-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.100
BindingDB Entry DOI: 10.7270/Q2QF8VDC
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50013914
PNG
(CHEMBL3260518)
Show SMILES CCOC(=O)[C@](C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN3O2/c1-3-30-23(29)24(2,15-17-7-5-4-6-8-17)21-13-14-26-22-20(16-27-28(21)22)18-9-11-19(25)12-10-18/h4-14,16H,3,15H2,1-2H3/t24-/m1/s1
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n/an/an/an/a 76n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 overexpressed in CHO cells assessed as stimulation of cAMP production by HTRF assay


Bioorg Med Chem Lett 24: 2383-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.023
BindingDB Entry DOI: 10.7270/Q2KP83P1
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50013914
PNG
(CHEMBL3260518)
Show SMILES CCOC(=O)[C@](C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN3O2/c1-3-30-23(29)24(2,15-17-7-5-4-6-8-17)21-13-14-26-22-20(16-27-28(21)22)18-9-11-19(25)12-10-18/h4-14,16H,3,15H2,1-2H3/t24-/m1/s1
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n/an/an/an/a 510n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at GPR119 in mouse GLUTag cells assessed as stimulation of GLP1 secretion by CRE-luciferase reporter gene assay


Bioorg Med Chem Lett 24: 2383-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.023
BindingDB Entry DOI: 10.7270/Q2KP83P1
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50013914
PNG
(CHEMBL3260518)
Show SMILES CCOC(=O)[C@](C)(Cc1ccccc1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN3O2/c1-3-30-23(29)24(2,15-17-7-5-4-6-8-17)21-13-14-26-22-20(16-27-28(21)22)18-9-11-19(25)12-10-18/h4-14,16H,3,15H2,1-2H3/t24-/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 overexpressed in CHO cells assessed as stimulation of cAMP production by HTRF assay


Bioorg Med Chem Lett 24: 2383-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.023
BindingDB Entry DOI: 10.7270/Q2KP83P1
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50052030
PNG
((R)-Cyclopentyl-[4-(quinolin-2-ylmethoxy)-phenyl]-...)
Show SMILES OC(=O)[C@H](C1CCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of calcium ionophore (A-23187)-stimulated LTB4 formation in human neutrophil assay


J Med Chem 43: 690-705 (2000)


Article DOI: 10.1021/jm9904102
BindingDB Entry DOI: 10.7270/Q2HD7WCR
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50235092
PNG
(4-(2-(4-(quinolin-2-ylmethoxy)phenyl)bicyclo[2.2.1...)
Show SMILES Oc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C29H27NO2/c31-26-13-8-22(9-14-26)29(18-20-5-7-24(29)17-20)23-10-15-27(16-11-23)32-19-25-12-6-21-3-1-2-4-28(21)30-25/h1-4,6,8-16,20,24,31H,5,7,17-19H2
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n/an/a 145n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50235098
PNG
(2-(4-(2-(4-(quinolin-2-ylmethoxy)phenyl)bicyclo[2....)
Show SMILES OC(=O)COc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C31H29NO4/c33-30(34)20-36-28-15-10-24(11-16-28)31(18-21-5-7-25(31)17-21)23-8-13-27(14-9-23)35-19-26-12-6-22-3-1-2-4-29(22)32-26/h1-4,6,8-16,21,25H,5,7,17-20H2,(H,33,34)
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n/an/a>6.30E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5LOX


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50235113
PNG
(CHEMBL258215 | methyl 2-(4-(2-(4-(quinolin-2-ylmet...)
Show SMILES COC(=O)COc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C32H31NO4/c1-35-31(34)21-37-29-16-11-25(12-17-29)32(19-22-6-8-26(32)18-22)24-9-14-28(15-10-24)36-20-27-13-7-23-4-2-3-5-30(23)33-27/h2-5,7,9-17,22,26H,6,8,18-21H2,1H3
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n/an/a 182n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50235093
PNG
(2-((4-(2-(4-(quinolin-2-ylmethoxy)phenyl)bicyclo[2...)
Show SMILES C(Oc1ccc(cc1)C1(CC2CCC1C2)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C39H34N2O2/c1-3-7-37-28(5-1)10-17-33(40-37)25-42-35-19-13-30(14-20-35)39(24-27-9-12-32(39)23-27)31-15-21-36(22-16-31)43-26-34-18-11-29-6-2-4-8-38(29)41-34/h1-8,10-11,13-22,27,32H,9,12,23-26H2
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n/an/a 127n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691831 from FLAP


Bioorg Med Chem Lett 18: 2023-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.105
BindingDB Entry DOI: 10.7270/Q2CV4JKD
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50013890
PNG
(CHEMBL3265288)
Show SMILES Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C17H21N3O3S/c1-11-10-24-17(19-13-5-3-2-4-6-13)20(11)18-9-12-7-8-14(21)16(23)15(12)22/h7-10,13,21-23H,2-6H2,1H3/b18-9+,19-17-
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
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PubMed
n/an/a 4.72E+3n/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of FITC-labeled MCL1 (unknown origin) after 5 mins by fluorescence polarization assay


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair