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14 molecules are shown

Wt: 241.0
BDBM50345231
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Wt: 271.0
BDBM50345232
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Wt: 354.1
BDBM50345247
Wt: 354.1
BDBM50345249
Wt: 353.2
BDBM50345250
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Wt: 368.2
BDBM50345251
Wt: 367.2
BDBM50345253
Wt: 367.1
BDBM50345254
Wt: 381.2
BDBM50345255
Wt: 367.1
BDBM50345257
Wt: 353.2
BDBM50345259
Wt: 353.2
BDBM50345260
Wt: 354.1
BDBM50345261
Wt: 354.1
BDBM50345262

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50345231,50345232,50345247,50345249,50345250,50345251,50345253,50345254,50345255,50345257,50345259,50345260,50345261,50345262   
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
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)
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))
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))
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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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))
BDBM50345250
PNG
(5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...)
Show SMILES OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1
Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20)
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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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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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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))
BDBM50345254
PNG
(5-bromo-7-(piperidine-4-carboxamido)benzofuran-2-c...)
Show SMILES OC(=O)c1cc2cc(Br)cc(NC(=O)C3CCNCC3)c2o1
Show InChI InChI=1S/C15H15BrN2O4/c16-10-5-9-6-12(15(20)21)22-13(9)11(7-10)18-14(19)8-1-3-17-4-2-8/h5-8,17H,1-4H2,(H,18,19)(H,20,21)
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n/an/a 150n/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))
BDBM50345255
PNG
(5-bromo-7-(2-(piperidin-4-yl)acetamido)benzofuran-...)
Show SMILES OC(=O)c1cc2cc(Br)cc(NC(=O)CC3CCNCC3)c2o1
Show InChI InChI=1S/C16H17BrN2O4/c17-11-6-10-7-13(16(21)22)23-15(10)12(8-11)19-14(20)5-9-1-3-18-4-2-9/h6-9,18H,1-5H2,(H,19,20)(H,21,22)
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n/an/a 55n/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))
BDBM50345257
PNG
(5-bromo-7-(piperidin-4-ylcarbamoyl)benzofuran-2-ca...)
Show SMILES OC(=O)c1cc2cc(Br)cc(C(=O)NC3CCNCC3)c2o1
Show InChI InChI=1S/C15H15BrN2O4/c16-9-5-8-6-12(15(20)21)22-13(8)11(7-9)14(19)18-10-1-3-17-4-2-10/h5-7,10,17H,1-4H2,(H,18,19)(H,20,21)
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n/an/a 980n/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


(Homo sapiens (Human))
BDBM50345261
PNG
(CHEMBL1782532 | cis-5-bromo-7-(4-hydroxycyclohexyl...)
Show SMILES O[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H16BrNO4/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)17-10-1-3-11(18)4-2-10/h5-7,10-11,17-18H,1-4H2,(H,19,20)/t10-,11+
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n/an/a 2.30E+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))
BDBM50345262
PNG
(CHEMBL1782533 | trans-5-bromo-7-(4-hydroxycyclohex...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H16BrNO4/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)17-10-1-3-11(18)4-2-10/h5-7,10-11,17-18H,1-4H2,(H,19,20)/t10-,11-
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n/an/a 2.40E+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-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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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))
BDBM50345250
PNG
(5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...)
Show SMILES OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1
Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20)
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n/an/a 190n/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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n/an/a 350n/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))
BDBM50345254
PNG
(5-bromo-7-(piperidine-4-carboxamido)benzofuran-2-c...)
Show SMILES OC(=O)c1cc2cc(Br)cc(NC(=O)C3CCNCC3)c2o1
Show InChI InChI=1S/C15H15BrN2O4/c16-10-5-9-6-12(15(20)21)22-13(9)11(7-10)18-14(19)8-1-3-17-4-2-8/h5-8,17H,1-4H2,(H,18,19)(H,20,21)
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n/an/a 260n/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))
BDBM50345255
PNG
(5-bromo-7-(2-(piperidin-4-yl)acetamido)benzofuran-...)
Show SMILES OC(=O)c1cc2cc(Br)cc(NC(=O)CC3CCNCC3)c2o1
Show InChI InChI=1S/C16H17BrN2O4/c17-11-6-10-7-13(16(21)22)23-15(10)12(8-11)19-14(20)5-9-1-3-18-4-2-9/h6-9,18H,1-5H2,(H,19,20)(H,21,22)
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n/an/a 340n/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))
BDBM50345257
PNG
(5-bromo-7-(piperidin-4-ylcarbamoyl)benzofuran-2-ca...)
Show SMILES OC(=O)c1cc2cc(Br)cc(C(=O)NC3CCNCC3)c2o1
Show InChI InChI=1S/C15H15BrN2O4/c16-9-5-8-6-12(15(20)21)22-13(8)11(7-9)14(19)18-10-1-3-17-4-2-10/h5-7,10,17H,1-4H2,(H,18,19)(H,20,21)
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n/an/a 7.00E+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
Serine/threonine-protein kinase pim-2


(Homo sapiens (human))
BDBM50345261
PNG
(CHEMBL1782532 | cis-5-bromo-7-(4-hydroxycyclohexyl...)
Show SMILES O[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H16BrNO4/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)17-10-1-3-11(18)4-2-10/h5-7,10-11,17-18H,1-4H2,(H,19,20)/t10-,11+
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n/an/a 6.80E+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))
BDBM50345262
PNG
(CHEMBL1782533 | trans-5-bromo-7-(4-hydroxycyclohex...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O
Show InChI InChI=1S/C15H16BrNO4/c16-9-5-8-6-13(15(19)20)21-14(8)12(7-9)17-10-1-3-11(18)4-2-10/h5-7,10-11,17-18H,1-4H2,(H,19,20)/t10-,11-
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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 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))
BDBM50345250
PNG
(5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...)
Show SMILES OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1
Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20)
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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))
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))
BDBM50345250
PNG
(5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...)
Show SMILES OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1
Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20)
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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))
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))
BDBM50345250
PNG
(5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...)
Show SMILES OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1
Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20)
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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))
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))
BDBM50345250
PNG
(5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...)
Show SMILES OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1
Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20)
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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 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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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 3A


(Homo sapiens (human))
BDBM50345250
PNG
(5-bromo-7-(piperidin-4-ylmethylamino)benzofuran-2-...)
Show SMILES OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1
Show InChI InChI=1S/C15H17BrN2O3/c16-11-5-10-6-13(15(19)20)21-14(10)12(7-11)18-8-9-1-3-17-4-2-9/h5-7,9,17-18H,1-4,8H2,(H,19,20)
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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))
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
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))
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)