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PubMed code 15916429

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50118955
PNG
(CHEMBL94678 | Compound K-252a(epi))
Show SMILES COC(=O)[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed human trkA

J Med Chem 48: 3776-83 (2005)


Article DOI: 10.1021/jm040178m
BindingDB Entry DOI: 10.7270/Q2HX1C66
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50410231
PNG
(CHEMBL2113064)
Show SMILES CO[C@]1(CO)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C27H23N3O4/c1-26-27(13-31,33-2)11-19(34-26)29-17-9-5-3-7-14(17)21-22-16(12-28-25(22)32)20-15-8-4-6-10-18(15)30(26)24(20)23(21)29/h3-10,19,31H,11-13H2,1-2H3,(H,28,32)/t19-,26+,27+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed human trkA

J Med Chem 48: 3776-83 (2005)


Article DOI: 10.1021/jm040178m
BindingDB Entry DOI: 10.7270/Q2HX1C66
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50410233
PNG
(CHEMBL2113063)
Show SMILES C[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O3/c1-25(31)11-18-28-16-9-5-3-7-13(16)20-21-15(12-27-24(21)30)19-14-8-4-6-10-17(14)29(23(19)22(20)28)26(25,2)32-18/h3-10,18,31H,11-12H2,1-2H3,(H,27,30)/t18-,25+,26+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed human trkA

J Med Chem 48: 3776-83 (2005)


Article DOI: 10.1021/jm040178m
BindingDB Entry DOI: 10.7270/Q2HX1C66
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50167983
PNG
(CHEMBL365585 | K-252a analogue)
Show SMILES CC1(C)O[C@H](C[C@]1(O)CO)n1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C27H25N3O4/c1-26(2)27(33,13-31)11-19(34-26)30-18-10-6-4-8-15(18)21-22-16(12-28-25(22)32)20-14-7-3-5-9-17(14)29-23(20)24(21)30/h3-10,19,29,31,33H,11-13H2,1-2H3,(H,28,32)/t19-,27+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed human trkA

J Med Chem 48: 3776-83 (2005)


Article DOI: 10.1021/jm040178m
BindingDB Entry DOI: 10.7270/Q2HX1C66
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50167984
PNG
(CHEMBL370493 | K-252a analogue)
Show SMILES CC1(C)O[C@H](C[C@@]1(O)CO)n1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C27H25N3O4/c1-26(2)27(33,13-31)11-19(34-26)30-18-10-6-4-8-15(18)21-22-16(12-28-25(22)32)20-14-7-3-5-9-17(14)29-23(20)24(21)30/h3-10,19,29,31,33H,11-13H2,1-2H3,(H,28,32)/t19-,27-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed human trkA

J Med Chem 48: 3776-83 (2005)


Article DOI: 10.1021/jm040178m
BindingDB Entry DOI: 10.7270/Q2HX1C66
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50167984
PNG
(CHEMBL370493 | K-252a analogue)
Show SMILES CC1(C)O[C@H](C[C@@]1(O)CO)n1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C27H25N3O4/c1-26(2)27(33,13-31)11-19(34-26)30-18-10-6-4-8-15(18)21-22-16(12-28-25(22)32)20-14-7-3-5-9-17(14)29-23(20)24(21)30/h3-10,19,29,31,33H,11-13H2,1-2H3,(H,28,32)/t19-,27-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed human VEGFR2

J Med Chem 48: 3776-83 (2005)


Article DOI: 10.1021/jm040178m
BindingDB Entry DOI: 10.7270/Q2HX1C66
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50118955
PNG
(CHEMBL94678 | Compound K-252a(epi))
Show SMILES COC(=O)[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NGF-stimulated TrkA phosphorylation in NIH3T3 cells

J Med Chem 48: 3776-83 (2005)


Article DOI: 10.1021/jm040178m
BindingDB Entry DOI: 10.7270/Q2HX1C66
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM6760
PNG
((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed human trkA

J Med Chem 48: 3776-83 (2005)


Article DOI: 10.1021/jm040178m
BindingDB Entry DOI: 10.7270/Q2HX1C66
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50410232
PNG
(CHEMBL2113062)
Show SMILES C[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O3/c1-25(31)11-18-28-16-9-5-3-7-13(16)20-21-15(12-27-24(21)30)19-14-8-4-6-10-17(14)29(23(19)22(20)28)26(25,2)32-18/h3-10,18,31H,11-12H2,1-2H3,(H,27,30)/t18-,25-,26+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed human trkA

J Med Chem 48: 3776-83 (2005)


Article DOI: 10.1021/jm040178m
BindingDB Entry DOI: 10.7270/Q2HX1C66
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50410234
PNG
(CHEMBL2113065)
Show SMILES C[C@]12O[C@H](C[C@@]1(O)C(N)=O)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H20N4O4/c1-25-26(33,24(27)32)10-17(34-25)29-15-8-4-2-6-12(15)19-20-14(11-28-23(20)31)18-13-7-3-5-9-16(13)30(25)22(18)21(19)29/h2-9,17,33H,10-11H2,1H3,(H2,27,32)(H,28,31)/t17-,25+,26-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed human trkA

J Med Chem 48: 3776-83 (2005)


Article DOI: 10.1021/jm040178m
BindingDB Entry DOI: 10.7270/Q2HX1C66
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50167983
PNG
(CHEMBL365585 | K-252a analogue)
Show SMILES CC1(C)O[C@H](C[C@]1(O)CO)n1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C27H25N3O4/c1-26(2)27(33,13-31)11-19(34-26)30-18-10-6-4-8-15(18)21-22-16(12-28-25(22)32)20-14-7-3-5-9-17(14)29-23(20)24(21)30/h3-10,19,29,31,33H,11-13H2,1-2H3,(H,28,32)/t19-,27+/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed human VEGFR2

J Med Chem 48: 3776-83 (2005)


Article DOI: 10.1021/jm040178m
BindingDB Entry DOI: 10.7270/Q2HX1C66
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%