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Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'gant' and Initial = 't'   
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
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440788
PNG
(CHEMBL2431249)
Show SMILES CN1C[C@](C)(N(CC(=O)Nc2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C32H32F2N6O3/c1-30(20-11-21(33)13-22(34)12-20)18-39(2)32(7-3-4-8-32)29(43)40(30)17-26(41)37-23-10-19-14-31(15-25(19)36-16-23)24-6-5-9-35-27(24)38-28(31)42/h5-6,9-13,16H,3-4,7-8,14-15,17-18H2,1-2H3,(H,37,41)(H,35,38,42)/t30-,31-/m0/s1
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0.0170n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440782
PNG
(CHEMBL2431246)
Show SMILES CN1C[C@](C)(N(CC#Cc2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C33H31F2N5O2/c1-31(23-14-24(34)16-25(35)15-23)20-39(2)33(9-3-4-10-33)30(42)40(31)12-6-7-21-13-22-17-32(18-27(22)37-19-21)26-8-5-11-36-28(26)38-29(32)41/h5,8,11,13-16,19H,3-4,9-10,12,17-18,20H2,1-2H3,(H,36,38,41)/t31-,32-/m0/s1
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0.0190n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50356282
PNG
(CHEMBL1910936)
Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r|
Show InChI InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1
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0.0210n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440784
PNG
(CHEMBL2431253)
Show SMILES CN1C[C@](C)(N(C\C=C\c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C33H33F2N5O2/c1-31(23-14-24(34)16-25(35)15-23)20-39(2)33(9-3-4-10-33)30(42)40(31)12-6-7-21-13-22-17-32(18-27(22)37-19-21)26-8-5-11-36-28(26)38-29(32)41/h5-8,11,13-16,19H,3-4,9-10,12,17-18,20H2,1-2H3,(H,36,38,41)/b7-6+/t31-,32-/m0/s1
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0.0210n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440791
PNG
(CHEMBL2431256)
Show SMILES CN1C[C@H](N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C1(C)C)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C30H29F2N5O3/c1-29(2)28(40)37(24(15-36(29)3)18-9-20(31)12-21(32)10-18)16-25(38)34-22-7-6-17-13-30(14-19(17)11-22)23-5-4-8-33-26(23)35-27(30)39/h4-12,24H,13-16H2,1-3H3,(H,34,38)(H,33,35,39)/t24-,30+/m0/s1
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0.0220n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440793
PNG
(CHEMBL2431254)
Show SMILES CC1(C)NC[C@H](N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C1=O)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C29H27F2N5O3/c1-28(2)27(39)36(23(14-33-28)17-8-19(30)11-20(31)9-17)15-24(37)34-21-6-5-16-12-29(13-18(16)10-21)22-4-3-7-32-25(22)35-26(29)38/h3-11,23,33H,12-15H2,1-2H3,(H,34,37)(H,32,35,38)/t23-,29+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50385314
PNG
(CHEMBL2035981)
Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C32H31F2N5O3/c1-30(21-12-22(33)14-23(34)13-21)18-36-32(8-2-3-9-32)29(42)39(30)17-26(40)37-24-7-6-19-15-31(16-20(19)11-24)25-5-4-10-35-27(25)38-28(31)41/h4-7,10-14,36H,2-3,8-9,15-18H2,1H3,(H,37,40)(H,35,38,41)/t30-,31+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440786
PNG
(CHEMBL2431251)
Show SMILES CN1C[C@](C)(N(CCCc2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C33H35F2N5O2/c1-31(23-14-24(34)16-25(35)15-23)20-39(2)33(9-3-4-10-33)30(42)40(31)12-6-7-21-13-22-17-32(18-27(22)37-19-21)26-8-5-11-36-28(26)38-29(32)41/h5,8,11,13-16,19H,3-4,6-7,9-10,12,17-18,20H2,1-2H3,(H,36,38,41)/t31-,32-/m0/s1
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0.0450n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440789
PNG
(CHEMBL2431248)
Show SMILES CN1C[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C33H33F2N5O3/c1-31(22-13-23(34)15-24(35)14-22)19-39(2)33(9-3-4-10-33)30(43)40(31)18-27(41)37-25-8-7-20-16-32(17-21(20)12-25)26-6-5-11-36-28(26)38-29(32)42/h5-8,11-15H,3-4,9-10,16-19H2,1-2H3,(H,37,41)(H,36,38,42)/t31-,32+/m0/s1
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0.0460n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440790
PNG
(CHEMBL2431247)
Show SMILES CN1C[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C1(C)C)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C31H31F2N5O3/c1-29(2)28(41)38(30(3,17-37(29)4)20-11-21(32)13-22(33)12-20)16-25(39)35-23-8-7-18-14-31(15-19(18)10-23)24-6-5-9-34-26(24)36-27(31)40/h5-13H,14-17H2,1-4H3,(H,35,39)(H,34,36,40)/t30-,31+/m0/s1
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0.0560n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440785
PNG
(CHEMBL2431252)
Show SMILES CN1C[C@](C)(N(C\C=C\c2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C34H34F2N4O2/c1-32(25-16-26(35)18-27(36)17-25)21-39(2)34(11-3-4-12-34)31(42)40(32)14-6-7-22-9-10-23-19-33(20-24(23)15-22)28-8-5-13-37-29(28)38-30(33)41/h5-10,13,15-18H,3-4,11-12,14,19-21H2,1-2H3,(H,37,38,41)/b7-6+/t32-,33+/m0/s1
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0.0940n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440792
PNG
(CHEMBL2431255)
Show SMILES CC1(C)NC[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C1=O)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C30H29F2N5O3/c1-28(2)27(40)37(29(3,16-34-28)19-10-20(31)12-21(32)11-19)15-24(38)35-22-7-6-17-13-30(14-18(17)9-22)23-5-4-8-33-25(23)36-26(30)39/h4-12,34H,13-16H2,1-3H3,(H,35,38)(H,33,36,39)/t29-,30+/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440783
PNG
(CHEMBL2429882)
Show SMILES CN1C[C@](C)(N(CC#Cc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C34H32F2N4O2/c1-32(25-16-26(35)18-27(36)17-25)21-39(2)34(11-3-4-12-34)31(42)40(32)14-6-7-22-9-10-23-19-33(20-24(23)15-22)28-8-5-13-37-29(28)38-30(33)41/h5,8-10,13,15-18H,3-4,11-12,14,19-21H2,1-2H3,(H,37,38,41)/t32-,33+/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440787
PNG
(CHEMBL2431250)
Show SMILES CN1C[C@](C)(N(CCCc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C34H36F2N4O2/c1-32(25-16-26(35)18-27(36)17-25)21-39(2)34(11-3-4-12-34)31(42)40(32)14-6-7-22-9-10-23-19-33(20-24(23)15-22)28-8-5-13-37-29(28)38-30(33)41/h5,8-10,13,15-18H,3-4,6-7,11-12,14,19-21H2,1-2H3,(H,37,38,41)/t32-,33+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50224431
PNG
(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F
Show InChI InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1
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0.770n/an/an/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440789
PNG
(CHEMBL2431248)
Show SMILES CN1C[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C33H33F2N5O3/c1-31(22-13-23(34)15-24(35)14-22)19-39(2)33(9-3-4-10-33)30(43)40(31)18-27(41)37-25-8-7-20-16-32(17-21(20)12-25)26-6-5-11-36-28(26)38-29(32)42/h5-8,11-15H,3-4,9-10,16-19H2,1-2H3,(H,37,41)(H,36,38,42)/t31-,32+/m0/s1
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n/an/a 0.0970n/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Antagonist activity at CGRP receptor (unknown origin) by cell based cAMP assay


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50440789
PNG
(CHEMBL2431248)
Show SMILES CN1C[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C33H33F2N5O3/c1-31(22-13-23(34)15-24(35)14-22)19-39(2)33(9-3-4-10-33)30(43)40(31)18-27(41)37-25-8-7-20-16-32(17-21(20)12-25)26-6-5-11-36-28(26)38-29(32)42/h5-8,11-15H,3-4,9-10,16-19H2,1-2H3,(H,37,41)(H,36,38,42)/t31-,32+/m0/s1
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n/an/a 0.390n/an/an/an/an/an/a



Merck Research Labortories

Curated by ChEMBL


Assay Description
Antagonist activity at CGRP receptor (unknown origin) by cell based cAMP assay in presence of human serum


ACS Med Chem Lett 4: 863-8 (2013)


Article DOI: 10.1021/ml400199p
BindingDB Entry DOI: 10.7270/Q25D8T8V
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24922
PNG
(5-(carbamoylamino)-3-{6,7,8,9-tetrahydro-5H-benzo[...)
Show SMILES NC(=O)Nc1snc(SC2CCCCc3ccccc23)c1C(N)=O
Show InChI InChI=1S/C16H18N4O2S2/c17-13(21)12-14(19-16(18)22)24-20-15(12)23-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2,(H2,17,21)(H3,18,19,22)
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n/an/a<1n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24923
PNG
(5-(carbamoylamino)-3-[(5R)-6,7,8,9-tetrahydro-5H-b...)
Show SMILES NC(=O)Nc1snc(S[C@@H]2CCCCc3ccccc23)c1C(N)=O |r|
Show InChI InChI=1S/C16H18N4O2S2/c17-13(21)12-14(19-16(18)22)24-20-15(12)23-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2,(H2,17,21)(H3,18,19,22)/t11-/m1/s1
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n/an/a<1n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24899
PNG
(3-{[1-(4-chlorophenyl)ethyl]sulfanyl}-5-[(methylca...)
Show SMILES CNC(=O)Nc1snc(SC(C)c2ccc(Cl)cc2)c1C(N)=O
Show InChI InChI=1S/C14H15ClN4O2S2/c1-7(8-3-5-9(15)6-4-8)22-13-10(11(16)20)12(23-19-13)18-14(21)17-2/h3-7H,1-2H3,(H2,16,20)(H2,17,18,21)
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n/an/a 3n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24901
PNG
(3-{[(1R)-1-(4-chlorophenyl)propyl]sulfanyl}-5-[(me...)
Show SMILES CC[C@@H](Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H17ClN4O2S2/c1-3-10(8-4-6-9(16)7-5-8)23-14-11(12(17)21)13(24-20-14)19-15(22)18-2/h4-7,10H,3H2,1-2H3,(H2,17,21)(H2,18,19,22)/t10-/m1/s1
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n/an/a 4n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50155213
PNG
(1-(5-Cyclobutyl-thiazol-2-yl)-3-isoquinolin-8-yl-u...)
Show SMILES O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2ccncc12
Show InChI InChI=1S/C17H16N4OS/c22-16(21-17-19-10-15(23-17)12-4-1-5-12)20-14-6-2-3-11-7-8-18-9-13(11)14/h2-3,6-10,12H,1,4-5H2,(H2,19,20,21,22)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50415045
PNG
(CHEMBL571782)
Show SMILES Clc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1 |r,wU:10.10,12.15,(-7.08,-11.69,;-7.1,-10.15,;-8.45,-9.39,;-8.47,-7.85,;-7.14,-7.07,;-5.81,-7.83,;-5.78,-9.36,;-4.48,-7.05,;-4.5,-5.51,;-3.14,-7.8,;-1.81,-7.02,;-1.13,-5.64,;.26,-6.32,;-.44,-7.71,;1.72,-5.83,;2.18,-4.37,;3.72,-4.35,;4.21,-5.81,;5.54,-6.58,;5.54,-8.13,;4.2,-8.89,;6.87,-8.9,;6.86,-10.44,;8.19,-11.21,;8.19,-12.74,;6.85,-13.52,;5.52,-12.74,;4.19,-13.5,;2.87,-12.74,;2.87,-11.2,;4.2,-10.44,;5.52,-11.21,;2.97,-6.73,)|
Show InChI InChI=1S/C25H22ClN5O2/c26-22-10-4-9-21(29-22)25(33)28-18-12-19(13-18)31-14-23(27-15-31)30-24(32)11-17-7-3-6-16-5-1-2-8-20(16)17/h1-10,14-15,18-19H,11-13H2,(H,28,33)(H,30,32)/t18-,19+
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50415046
PNG
(CHEMBL583658)
Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1 |r,wU:10.10,12.15,(14.65,-10.99,;14.63,-9.45,;13.28,-8.7,;13.27,-7.16,;14.59,-6.38,;15.92,-7.14,;15.95,-8.67,;17.25,-6.35,;17.24,-4.81,;18.59,-7.11,;19.92,-6.33,;20.6,-4.95,;21.99,-5.63,;21.3,-7.01,;23.45,-5.14,;23.91,-3.67,;25.45,-3.66,;25.94,-5.12,;27.27,-5.89,;27.27,-7.43,;25.93,-8.2,;28.6,-8.21,;28.59,-9.75,;29.92,-10.51,;29.92,-12.05,;28.58,-12.82,;27.25,-12.05,;25.93,-12.81,;24.6,-12.05,;24.6,-10.51,;25.93,-9.74,;27.25,-10.51,;24.7,-6.03,)|
Show InChI InChI=1S/C26H25N5O2/c1-17-6-4-11-23(28-17)26(33)29-20-13-21(14-20)31-15-24(27-16-31)30-25(32)12-19-9-5-8-18-7-2-3-10-22(18)19/h2-11,15-16,20-21H,12-14H2,1H3,(H,29,33)(H,30,32)/t20-,21+
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50155231
PNG
(2-(1H-Benzoimidazol-5-yl)-N-(5-cyclobutyl-thiazol-...)
Show SMILES O=C(Cc1ccc2nc[nH]c2c1)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C16H16N4OS/c21-15(7-10-4-5-12-13(6-10)19-9-18-12)20-16-17-8-14(22-16)11-2-1-3-11/h4-6,8-9,11H,1-3,7H2,(H,18,19)(H,17,20,21)
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n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24898
PNG
(3-{[(4-chlorophenyl)methyl]sulfanyl}-5-[(methylcar...)
Show SMILES CNC(=O)Nc1snc(SCc2ccc(Cl)cc2)c1C(N)=O
Show InChI InChI=1S/C13H13ClN4O2S2/c1-16-13(20)17-11-9(10(15)19)12(18-22-11)21-6-7-2-4-8(14)5-3-7/h2-5H,6H2,1H3,(H2,15,19)(H2,16,17,20)
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n/an/a 7n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24919
PNG
(3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-5...)
Show SMILES CNC(=O)Nc1snc(SC2CCc3cc(Cl)ccc23)c1C(N)=O
Show InChI InChI=1S/C15H15ClN4O2S2/c1-18-15(22)19-13-11(12(17)21)14(20-24-13)23-10-5-2-7-6-8(16)3-4-9(7)10/h3-4,6,10H,2,5H2,1H3,(H2,17,21)(H2,18,19,22)
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n/an/a 8n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50415039
PNG
(CHEMBL571780)
Show SMILES CC(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1 |r,wU:6.8,4.3,(6.38,-30.85,;7.71,-30.06,;9.05,-30.82,;7.69,-28.52,;9.02,-27.74,;9.7,-26.36,;11.09,-27.05,;10.4,-28.43,;12.55,-26.56,;13.01,-25.09,;14.55,-25.07,;15.04,-26.53,;16.37,-27.31,;16.37,-28.85,;15.03,-29.61,;17.7,-29.62,;17.69,-31.16,;19.02,-31.93,;19.02,-33.46,;17.68,-34.24,;16.35,-33.46,;15.03,-34.22,;13.7,-33.46,;13.7,-31.92,;15.03,-31.16,;16.35,-31.93,;13.81,-27.45,)|
Show InChI InChI=1S/C21H22N4O2/c1-14(26)23-17-10-18(11-17)25-12-20(22-13-25)24-21(27)9-16-7-4-6-15-5-2-3-8-19(15)16/h2-8,12-13,17-18H,9-11H2,1H3,(H,23,26)(H,24,27)/t17-,18+
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50155209
PNG
(1-(5-Cyclobutyl-thiazol-2-yl)-3-isoquinolin-5-yl-u...)
Show SMILES O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C17H16N4OS/c22-16(21-17-19-10-15(23-17)11-3-1-4-11)20-14-6-2-5-12-9-18-8-7-13(12)14/h2,5-11H,1,3-4H2,(H2,19,20,21,22)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50415037
PNG
(CHEMBL576502)
Show SMILES COc1ccc(CC(=O)Nc2cn(cn2)[C@@H]2C[C@@H](C2)NC(C)=O)cc1 |r,wU:15.15,17.20,(2.53,9.19,;1,9.03,;.37,7.63,;-1.16,7.46,;-1.78,6.06,;-.88,4.81,;-1.51,3.41,;-.6,2.16,;.93,2.32,;-1.23,.75,;-.32,-.49,;-.8,-1.96,;.45,-2.86,;1.69,-1.96,;1.22,-.49,;.45,-4.4,;-.64,-5.49,;.45,-6.58,;1.54,-5.49,;.45,-8.12,;-.89,-8.89,;-.89,-10.43,;-2.22,-8.12,;.65,4.97,;1.28,6.38,)|
Show InChI InChI=1S/C18H22N4O3/c1-12(23)20-14-8-15(9-14)22-10-17(19-11-22)21-18(24)7-13-3-5-16(25-2)6-4-13/h3-6,10-11,14-15H,7-9H2,1-2H3,(H,20,23)(H,21,24)/t14-,15+
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n/an/a 9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24900
PNG
(3-{[1-(4-chlorophenyl)propyl]sulfanyl}-5-[(methylc...)
Show SMILES CCC(Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H17ClN4O2S2/c1-3-10(8-4-6-9(16)7-5-8)23-14-11(12(17)21)13(24-20-14)19-15(22)18-2/h4-7,10H,3H2,1-2H3,(H2,17,21)(H2,18,19,22)
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n/an/a 9n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50155236
PNG
(CHEMBL363954 | N-(5-Cyclobutyl-thiazol-2-yl)-2-qui...)
Show SMILES O=C(Cc1ccc2ncccc2c1)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C18H17N3OS/c22-17(21-18-20-11-16(23-18)13-3-1-4-13)10-12-6-7-15-14(9-12)5-2-8-19-15/h2,5-9,11,13H,1,3-4,10H2,(H,20,21,22)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24918
PNG
(5-(carbamoylamino)-3-[(5-chloro-2,3-dihydro-1H-ind...)
Show SMILES NC(=O)Nc1snc(SC2CCc3cc(Cl)ccc23)c1C(N)=O
Show InChI InChI=1S/C14H13ClN4O2S2/c15-7-2-3-8-6(5-7)1-4-9(8)22-13-10(11(16)20)12(23-19-13)18-14(17)21/h2-3,5,9H,1,4H2,(H2,16,20)(H3,17,18,21)
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n/an/a 10n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50155235
PNG
(CHEMBL186470 | N-(5-Cyclobutyl-thiazol-2-yl)-2-(2-...)
Show SMILES Cc1nc2ccc(CC(=O)Nc3ncc(s3)C3CCC3)cc2s1
Show InChI InChI=1S/C17H17N3OS2/c1-10-19-13-6-5-11(7-14(13)22-10)8-16(21)20-17-18-9-15(23-17)12-3-2-4-12/h5-7,9,12H,2-4,8H2,1H3,(H,18,20,21)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50155237
PNG
(CHEMBL184404 | N-(5-Cyclobutyl-thiazol-2-yl)-2-iso...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C18H17N3OS/c22-17(21-18-20-11-16(23-18)12-3-1-4-12)9-13-5-2-6-14-10-19-8-7-15(13)14/h2,5-8,10-12H,1,3-4,9H2,(H,20,21,22)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50155230
PNG
(CHEMBL187903 | N-(5-Cyclobutyl-thiazol-2-yl)-2-(5,...)
Show SMILES Cc1cc2ncn(CC(=O)Nc3ncc(s3)C3CCC3)c2cc1C
Show InChI InChI=1S/C18H20N4OS/c1-11-6-14-15(7-12(11)2)22(10-20-14)9-17(23)21-18-19-8-16(24-18)13-4-3-5-13/h6-8,10,13H,3-5,9H2,1-2H3,(H,19,21,23)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50155207
PNG
(1-(5-Cyclobutyl-thiazol-2-yl)-3-quinolin-5-yl-urea...)
Show SMILES O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2ncccc12
Show InChI InChI=1S/C17H16N4OS/c22-16(21-17-19-10-15(23-17)11-4-1-5-11)20-14-8-2-7-13-12(14)6-3-9-18-13/h2-3,6-11H,1,4-5H2,(H2,19,20,21,22)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50415044
PNG
(CHEMBL569587)
Show SMILES O=C(Cc1cccc2ccccc12)Nc1cn(cn1)[C@@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:21.26,19.21,(28.29,2.47,;29.63,3.24,;30.96,2.46,;30.96,.92,;32.28,.16,;32.28,-1.38,;30.94,-2.15,;29.61,-1.38,;28.29,-2.14,;26.96,-1.38,;26.96,.16,;28.29,.93,;29.62,.16,;29.63,4.78,;28.3,5.55,;27.07,4.63,;25.81,5.53,;26.27,7,;27.81,7.01,;24.35,5.04,;22.96,5.72,;22.28,4.34,;23.66,3.66,;20.95,3.56,;19.61,4.32,;19.6,5.86,;18.29,3.53,;16.95,4.29,;15.63,3.51,;15.64,1.97,;16.99,1.21,;18.31,2,)|
Show InChI InChI=1S/C25H23N5O2/c31-24(12-18-8-5-7-17-6-1-2-9-21(17)18)29-23-15-30(16-27-23)20-13-19(14-20)28-25(32)22-10-3-4-11-26-22/h1-11,15-16,19-20H,12-14H2,(H,28,32)(H,29,31)/t19-,20+
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50155235
PNG
(CHEMBL186470 | N-(5-Cyclobutyl-thiazol-2-yl)-2-(2-...)
Show SMILES Cc1nc2ccc(CC(=O)Nc3ncc(s3)C3CCC3)cc2s1
Show InChI InChI=1S/C17H17N3OS2/c1-10-19-13-6-5-11(7-14(13)22-10)8-16(21)20-17-18-9-15(23-17)12-3-2-4-12/h5-7,9,12H,2-4,8H2,1H3,(H,18,20,21)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24903
PNG
(3-{[1-(4-chlorophenyl)-2-methylpropyl]sulfanyl}-5-...)
Show SMILES CNC(=O)Nc1snc(SC(C(C)C)c2ccc(Cl)cc2)c1C(N)=O
Show InChI InChI=1S/C16H19ClN4O2S2/c1-8(2)12(9-4-6-10(17)7-5-9)24-15-11(13(18)22)14(25-21-15)20-16(23)19-3/h4-8,12H,1-3H3,(H2,18,22)(H2,19,20,23)
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n/an/a 16n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50155214
PNG
(CHEMBL186240 | N-(5-Cyclobutyl-thiazol-2-yl)-2-(1H...)
Show SMILES O=C(Cc1c[nH]c2ccccc12)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C17H17N3OS/c21-16(8-12-9-18-14-7-2-1-6-13(12)14)20-17-19-10-15(22-17)11-4-3-5-11/h1-2,6-7,9-11,18H,3-5,8H2,(H,19,20,21)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24910
PNG
(3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(pyridin-3-...)
Show SMILES NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1cccnc1
Show InChI InChI=1S/C16H13ClN4OS2/c17-11-5-3-10(4-6-11)9-23-16-13(14(18)22)15(24-21-16)20-12-2-1-7-19-8-12/h1-8,20H,9H2,(H2,18,22)
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n/an/a 19n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50155225
PNG
(CHEMBL365855 | N-(5-Cyclobutyl-thiazol-2-yl)-2-phe...)
Show SMILES O=C(Cc1ccccc1)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C15H16N2OS/c18-14(9-11-5-2-1-3-6-11)17-15-16-10-13(19-15)12-7-4-8-12/h1-3,5-6,10,12H,4,7-9H2,(H,16,17,18)
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50155230
PNG
(CHEMBL187903 | N-(5-Cyclobutyl-thiazol-2-yl)-2-(5,...)
Show SMILES Cc1cc2ncn(CC(=O)Nc3ncc(s3)C3CCC3)c2cc1C
Show InChI InChI=1S/C18H20N4OS/c1-11-6-14-15(7-12(11)2)22(10-20-14)9-17(23)21-18-19-8-16(24-18)13-4-3-5-13/h6-8,10,13H,3-5,9H2,1-2H3,(H,19,21,23)
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50155236
PNG
(CHEMBL363954 | N-(5-Cyclobutyl-thiazol-2-yl)-2-qui...)
Show SMILES O=C(Cc1ccc2ncccc2c1)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C18H17N3OS/c22-17(21-18-20-11-16(23-18)13-3-1-4-13)10-12-6-7-15-14(9-12)5-2-8-19-15/h2,5-9,11,13H,1,3-4,10H2,(H,20,21,22)
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50415042
PNG
(CHEMBL582813)
Show SMILES O=C(Cc1cccc2ccccc12)Nc1cn(cn1)[C@@H]1C[C@@H](C1)NC(=O)c1ccncc1 |r,wU:21.26,19.21,(31.19,-43.99,;32.52,-43.23,;33.86,-44,;33.85,-45.54,;35.18,-46.31,;35.18,-47.84,;33.84,-48.62,;32.5,-47.84,;31.18,-48.6,;29.86,-47.84,;29.86,-46.3,;31.19,-45.54,;32.51,-46.31,;32.53,-41.68,;31.2,-40.91,;29.96,-41.83,;28.71,-40.93,;29.17,-39.47,;30.71,-39.45,;27.25,-41.42,;25.86,-40.74,;25.17,-42.12,;26.55,-42.81,;23.85,-42.9,;22.51,-42.15,;22.49,-40.61,;21.18,-42.93,;19.85,-42.17,;18.52,-42.95,;18.54,-44.49,;19.89,-45.25,;21.21,-44.46,)|
Show InChI InChI=1S/C25H23N5O2/c31-24(12-19-6-3-5-17-4-1-2-7-22(17)19)29-23-15-30(16-27-23)21-13-20(14-21)28-25(32)18-8-10-26-11-9-18/h1-11,15-16,20-21H,12-14H2,(H,28,32)(H,29,31)/t20-,21+
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n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24914
PNG
(3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(pyridin-4-...)
Show SMILES NC(=O)c1c(SCc2ccccc2Cl)nsc1Nc1ccncc1
Show InChI InChI=1S/C16H13ClN4OS2/c17-12-4-2-1-3-10(12)9-23-16-13(14(18)22)15(24-21-16)20-11-5-7-19-8-6-11/h1-8H,9H2,(H2,18,22)(H,19,20)
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n/an/a 28n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24911
PNG
(3-{[1-(4-chlorophenyl)ethyl]sulfanyl}-5-(pyridin-3...)
Show SMILES CC(Sc1nsc(Nc2cccnc2)c1C(N)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN4OS2/c1-10(11-4-6-12(18)7-5-11)24-17-14(15(19)23)16(25-22-17)21-13-3-2-8-20-9-13/h2-10,21H,1H3,(H2,19,23)
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n/an/a 29n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24909
PNG
(3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(pyridin-2-...)
Show SMILES NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccccn1
Show InChI InChI=1S/C16H13ClN4OS2/c17-11-6-4-10(5-7-11)9-23-16-13(14(18)22)15(24-21-16)20-12-3-1-2-8-19-12/h1-8H,9H2,(H2,18,22)(H,19,20)
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n/an/a 33n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50155231
PNG
(2-(1H-Benzoimidazol-5-yl)-N-(5-cyclobutyl-thiazol-...)
Show SMILES O=C(Cc1ccc2nc[nH]c2c1)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C16H16N4OS/c21-15(7-10-4-5-12-13(6-10)19-9-18-12)20-16-17-8-14(22-16)11-2-1-3-11/h4-6,8-9,11H,1-3,7H2,(H,18,19)(H,17,20,21)
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n/an/a 33n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
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