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14 molecules are shown

Wt: 162.1
BDBM50345230
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Wt: 241.0
BDBM50345231
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Wt: 271.0
BDBM50345232
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Wt: 230.1
BDBM50345233
Wt: 246.1
BDBM50345234
Wt: 354.1
BDBM50345247
Wt: 348.1
BDBM50345248
Wt: 354.1
BDBM50345249
Wt: 368.2
BDBM50345251
Wt: 362.1
BDBM50345252
Wt: 367.2
BDBM50345253
Wt: 383.1
BDBM50345256
Wt: 353.2
BDBM50345259
Wt: 353.2
BDBM50345260

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50345230,50345231,50345232,50345233,50345234,50345247,50345248,50345249,50345251,50345252,50345253,50345256,50345259,50345260   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50345230
PNG
(1-benzofuran-2-carboxylic acid | CHEMBL84095 | ben...)
Show SMILES OC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
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>1.00E+6n/an/an/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...


J Med Chem 56: 15-30 (2013)


Article DOI: 10.1021/jm301448p
BindingDB Entry DOI: 10.7270/Q29G5P46
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345231
PNG
(5-bromo-1-benzofuran-2-carboxylic acid | 5-bromobe...)
Show SMILES OC(=O)c1cc2cc(Br)ccc2o1
Show InChI InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...


J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345232
PNG
(5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid |...)
Show SMILES COc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C10H7BrO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345233
PNG
(5-(trifluoromethyl)benzofuran-2-carboxylic acid | ...)
Show SMILES OC(=O)c1cc2cc(ccc2o1)C(F)(F)F
Show InChI InChI=1S/C10H5F3O3/c11-10(12,13)6-1-2-7-5(3-6)4-8(16-7)9(14)15/h1-4H,(H,14,15)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345234
PNG
(5-(trifluoromethoxy)benzofuran-2-carboxylic acid |...)
Show SMILES OC(=O)c1cc2cc(OC(F)(F)F)ccc2o1
Show InChI InChI=1S/C10H5F3O4/c11-10(12,13)17-6-1-2-7-5(3-6)4-8(16-7)9(14)15/h1-4H,(H,14,15)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345247
PNG
(5-bromo-7-(piperidin-4-ylmethoxy)benzofuran-2-carb...)
Show SMILES OC(=O)c1cc2cc(Br)cc(OCC3CCNCC3)c2o1
Show InChI InChI=1S/C15H16BrNO4/c16-11-5-10-6-13(15(18)19)21-14(10)12(7-11)20-8-9-1-3-17-4-2-9/h5-7,9,17H,1-4,8H2,(H,18,19)
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n/an/a 60n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345248
PNG
(5-bromo-7-(pyridin-4-ylmethoxy)benzofuran-2-carbox...)
Show SMILES OC(=O)c1cc2cc(Br)cc(OCc3ccncc3)c2o1
Show InChI InChI=1S/C15H10BrNO4/c16-11-5-10-6-13(15(18)19)21-14(10)12(7-11)20-8-9-1-3-17-4-2-9/h1-7H,8H2,(H,18,19)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345249
PNG
(5-bromo-7-(piperidin-3-ylmethoxy)benzofuran-2-carb...)
Show SMILES OC(=O)c1cc2cc(Br)cc(OCC3CCCNC3)c2o1
Show InChI InChI=1S/C15H16BrNO4/c16-11-4-10-5-13(15(18)19)21-14(10)12(6-11)20-8-9-2-1-3-17-7-9/h4-6,9,17H,1-3,7-8H2,(H,18,19)
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n/an/a 71n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345251
PNG
(5-bromo-7-(2-(piperidin-4-yl)ethoxy)benzofuran-2-c...)
Show SMILES OC(=O)c1cc2cc(Br)cc(OCCC3CCNCC3)c2o1
Show InChI InChI=1S/C16H18BrNO4/c17-12-7-11-8-14(16(19)20)22-15(11)13(9-12)21-6-3-10-1-4-18-5-2-10/h7-10,18H,1-6H2,(H,19,20)
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n/an/a 51n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345252
PNG
(5-bromo-7-(2-(pyridin-4-yl)ethoxy)benzofuran-2-car...)
Show SMILES OC(=O)c1cc2cc(Br)cc(OCCc3ccncc3)c2o1
Show InChI InChI=1S/C16H12BrNO4/c17-12-7-11-8-14(16(19)20)22-15(11)13(9-12)21-6-3-10-1-4-18-5-2-10/h1-2,4-5,7-9H,3,6H2,(H,19,20)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345253
PNG
(5-bromo-7-(2-(piperidin-4-yl)ethylamino)benzofuran...)
Show SMILES OC(=O)c1cc2cc(Br)cc(NCCC3CCNCC3)c2o1
Show InChI InChI=1S/C16H19BrN2O3/c17-12-7-11-8-14(16(20)21)22-15(11)13(9-12)19-6-3-10-1-4-18-5-2-10/h7-10,18-19H,1-6H2,(H,20,21)
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n/an/a 40n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345256
PNG
(5-bromo-7-(2-oxo-2-(piperazin-1-yl)ethoxy)benzofur...)
Show SMILES OC(=O)c1cc2cc(Br)cc(OCC(=O)N3CCNCC3)c2o1
Show InChI InChI=1S/C15H15BrN2O5/c16-10-5-9-6-12(15(20)21)23-14(9)11(7-10)22-8-13(19)18-3-1-17-2-4-18/h5-7,17H,1-4,8H2,(H,20,21)
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n/an/a 220n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345259
PNG
(CHEMBL1782530 | cis-7-(4-aminocyclohexylamino)-5-b...)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11+
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n/an/a 1n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345260
PNG
(CHEMBL1782531 | trans-7-(4-aminocyclohexylamino)-5...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11-
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n/an/a 19n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (human))
BDBM50345233
PNG
(5-(trifluoromethyl)benzofuran-2-carboxylic acid | ...)
Show SMILES OC(=O)c1cc2cc(ccc2o1)C(F)(F)F
Show InChI InChI=1S/C10H5F3O3/c11-10(12,13)6-1-2-7-5(3-6)4-8(16-7)9(14)15/h1-4H,(H,14,15)
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n/an/a 1.35E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (human))
BDBM50345247
PNG
(5-bromo-7-(piperidin-4-ylmethoxy)benzofuran-2-carb...)
Show SMILES OC(=O)c1cc2cc(Br)cc(OCC3CCNCC3)c2o1
Show InChI InChI=1S/C15H16BrNO4/c16-11-5-10-6-13(15(18)19)21-14(10)12(7-11)20-8-9-1-3-17-4-2-9/h5-7,9,17H,1-4,8H2,(H,18,19)
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n/an/a 250n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (human))
BDBM50345248
PNG
(5-bromo-7-(pyridin-4-ylmethoxy)benzofuran-2-carbox...)
Show SMILES OC(=O)c1cc2cc(Br)cc(OCc3ccncc3)c2o1
Show InChI InChI=1S/C15H10BrNO4/c16-11-5-10-6-13(15(18)19)21-14(10)12(7-11)20-8-9-1-3-17-4-2-9/h1-7H,8H2,(H,18,19)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (human))
BDBM50345249
PNG
(5-bromo-7-(piperidin-3-ylmethoxy)benzofuran-2-carb...)
Show SMILES OC(=O)c1cc2cc(Br)cc(OCC3CCCNC3)c2o1
Show InChI InChI=1S/C15H16BrNO4/c16-11-4-10-5-13(15(18)19)21-14(10)12(6-11)20-8-9-2-1-3-17-7-9/h4-6,9,17H,1-3,7-8H2,(H,18,19)
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n/an/a 330n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (human))
BDBM50345251
PNG
(5-bromo-7-(2-(piperidin-4-yl)ethoxy)benzofuran-2-c...)
Show SMILES OC(=O)c1cc2cc(Br)cc(OCCC3CCNCC3)c2o1
Show InChI InChI=1S/C16H18BrNO4/c17-12-7-11-8-14(16(19)20)22-15(11)13(9-12)21-6-3-10-1-4-18-5-2-10/h7-10,18H,1-6H2,(H,19,20)
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Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (human))
BDBM50345252
PNG
(5-bromo-7-(2-(pyridin-4-yl)ethoxy)benzofuran-2-car...)
Show SMILES OC(=O)c1cc2cc(Br)cc(OCCc3ccncc3)c2o1
Show InChI InChI=1S/C16H12BrNO4/c17-12-7-11-8-14(16(19)20)22-15(11)13(9-12)21-6-3-10-1-4-18-5-2-10/h1-2,4-5,7-9H,3,6H2,(H,19,20)
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n/an/a 2.11E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (human))
BDBM50345253
PNG
(5-bromo-7-(2-(piperidin-4-yl)ethylamino)benzofuran...)
Show SMILES OC(=O)c1cc2cc(Br)cc(NCCC3CCNCC3)c2o1
Show InChI InChI=1S/C16H19BrN2O3/c17-12-7-11-8-14(16(20)21)22-15(11)13(9-12)19-6-3-10-1-4-18-5-2-10/h7-10,18-19H,1-6H2,(H,20,21)
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n/an/a 540n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (human))
BDBM50345256
PNG
(5-bromo-7-(2-oxo-2-(piperazin-1-yl)ethoxy)benzofur...)
Show SMILES OC(=O)c1cc2cc(Br)cc(OCC(=O)N3CCNCC3)c2o1
Show InChI InChI=1S/C15H15BrN2O5/c16-10-5-9-6-12(15(20)21)23-14(9)11(7-10)22-8-13(19)18-3-1-17-2-4-18/h5-7,17H,1-4,8H2,(H,20,21)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (human))
BDBM50345259
PNG
(CHEMBL1782530 | cis-7-(4-aminocyclohexylamino)-5-b...)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11+
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n/an/a 4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (human))
BDBM50345260
PNG
(CHEMBL1782531 | trans-7-(4-aminocyclohexylamino)-5...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11-
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n/an/a 66n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50345259
PNG
(CHEMBL1782530 | cis-7-(4-aminocyclohexylamino)-5-b...)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50345260
PNG
(CHEMBL1782531 | trans-7-(4-aminocyclohexylamino)-5...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50345259
PNG
(CHEMBL1782530 | cis-7-(4-aminocyclohexylamino)-5-b...)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50345260
PNG
(CHEMBL1782531 | trans-7-(4-aminocyclohexylamino)-5...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50345259
PNG
(CHEMBL1782530 | cis-7-(4-aminocyclohexylamino)-5-b...)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50345260
PNG
(CHEMBL1782531 | trans-7-(4-aminocyclohexylamino)-5...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50345259
PNG
(CHEMBL1782530 | cis-7-(4-aminocyclohexylamino)-5-b...)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50345260
PNG
(CHEMBL1782531 | trans-7-(4-aminocyclohexylamino)-5...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11-
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Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50345259
PNG
(CHEMBL1782530 | cis-7-(4-aminocyclohexylamino)-5-b...)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50345260
PNG
(CHEMBL1782531 | trans-7-(4-aminocyclohexylamino)-5...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H17BrN2O3/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)18-11-3-1-10(17)2-4-11/h5-7,10-11,18H,1-4,17H2,(H,19,20)/t10-,11-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50345230
PNG
(1-benzofuran-2-carboxylic acid | CHEMBL84095 | ben...)
Show SMILES OC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
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n/an/an/a 1.00E+6n/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis Pantothenate synthetase


J Med Chem 54: 915-29 (2011)


Article DOI: 10.1021/jm101121s
BindingDB Entry DOI: 10.7270/Q2NS0W23
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345232
PNG
(5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid |...)
Show SMILES COc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C10H7BrO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...


J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345230
PNG
(1-benzofuran-2-carboxylic acid | CHEMBL84095 | ben...)
Show SMILES OC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
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n/an/a 1.19E+5n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50345231
PNG
(5-bromo-1-benzofuran-2-carboxylic acid | 5-bromobe...)
Show SMILES OC(=O)c1cc2cc(Br)ccc2o1
Show InChI InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method


Bioorg Med Chem Lett 21: 3050-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZP46GG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)