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Found 731 hits with Last Name = 'rucker' and Initial = 'pv'   
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
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM140012
PNG
(US8901310, Comparator B)
Show SMILES Cc1cnc(NC(=O)c2ccc3c(CC[C@@H]4C[C@](O)(CC[C@@]34Cc3ccccc3)C(F)(F)F)c2)c(C)n1 |r|
Show InChI InChI=1S/C29H30F3N3O2/c1-18-17-33-25(19(2)34-18)35-26(36)22-9-11-24-21(14-22)8-10-23-16-28(37,29(30,31)32)13-12-27(23,24)15-20-6-4-3-5-7-20/h3-7,9,11,14,17,23,37H,8,10,12-13,15-16H2,1-2H3,(H,33,35,36)/t23-,27+,28-/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/a 0.526n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50575344
PNG
(CHEMBL4854822)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(O)ccc2F)c2c(N)ncnc12 |r,wU:11.14,9.9,(5.38,-23.19,;6.89,-22.87,;7.92,-24.01,;7.36,-21.4,;6.33,-20.26,;6.8,-18.8,;8.31,-18.48,;9.35,-19.61,;8.87,-21.08,;8.78,-17.01,;8.08,-15.64,;9.45,-14.94,;10.15,-16.31,;9.91,-13.47,;9,-12.23,;9.9,-10.98,;9.42,-9.52,;10.45,-8.37,;9.97,-6.91,;11,-5.76,;8.46,-6.59,;7.43,-7.75,;7.92,-9.21,;6.9,-10.36,;11.37,-11.45,;12.7,-10.67,;12.7,-9.13,;14.04,-11.43,;14.05,-12.98,;12.71,-13.76,;11.37,-12.99,)|
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n/an/a 0.540n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RET (658 to 1072) (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00450
BindingDB Entry DOI: 10.7270/Q23R0XP8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50575348
PNG
(CHEMBL4853155)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc12 |r,wU:11.14,9.9,(30.61,-31.29,;32.11,-30.97,;33.14,-32.11,;32.59,-29.5,;31.56,-28.36,;32.03,-26.9,;33.54,-26.58,;34.57,-27.71,;34.09,-29.18,;34.01,-25.11,;33.3,-23.74,;34.67,-23.04,;35.38,-24.41,;35.14,-21.56,;34.23,-20.32,;35.13,-19.07,;34.65,-17.62,;33.15,-17.31,;32.66,-15.85,;33.69,-14.69,;33.2,-13.23,;35.2,-15.01,;36.22,-13.86,;35.68,-16.47,;36.59,-19.54,;37.93,-18.77,;37.92,-17.23,;39.27,-19.53,;39.27,-21.08,;37.93,-21.85,;36.6,-21.08,)|
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n/an/a 0.730n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RET (658 to 1072) (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00450
BindingDB Entry DOI: 10.7270/Q23R0XP8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50575350
PNG
(CHEMBL4877264)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccc(Cl)c(N)c2)c2c(N)ncnc12 |r,wU:11.14,9.9,(30.61,-31.29,;32.11,-30.97,;33.14,-32.11,;32.59,-29.5,;31.56,-28.36,;32.03,-26.9,;33.54,-26.58,;34.57,-27.71,;34.09,-29.18,;34.01,-25.11,;33.3,-23.74,;34.67,-23.04,;35.38,-24.41,;35.14,-21.56,;34.23,-20.32,;35.13,-19.07,;34.65,-17.62,;33.15,-17.31,;32.66,-15.85,;33.69,-14.69,;33.2,-13.23,;35.2,-15.01,;36.22,-13.86,;35.68,-16.47,;36.59,-19.54,;37.93,-18.77,;37.92,-17.23,;39.27,-19.53,;39.27,-21.08,;37.93,-21.85,;36.6,-21.08,)|
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n/an/a 0.850n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RET (658 to 1072) (unknown origin) by HTRF assay

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00450
BindingDB Entry DOI: 10.7270/Q23R0XP8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50347099
PNG
(CHEMBL1797202)
Show SMILES Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(Cl)cccc1Cl |(3.97,-20.05,;2.63,-20.81,;1.31,-20.04,;-.02,-20.81,;-1.36,-20.05,;-2.69,-20.82,;-4.03,-20.06,;-5.35,-20.83,;-6.68,-20.07,;-6.69,-18.52,;-8.03,-17.76,;-5.36,-17.75,;-4.02,-18.52,;-2.69,-17.75,;-.02,-22.35,;-1.36,-23.13,;1.31,-23.12,;1.31,-24.66,;2.63,-22.35,;3.97,-23.13,;5.29,-22.36,;5.29,-20.82,;6.62,-23.12,;6.63,-24.67,;5.29,-25.44,;3.96,-24.67,;2.62,-25.43,)|
Show InChI InChI=1S/C19H12BrCl2F2NO2/c1-10-7-16(27-9-11-5-6-12(23)8-15(11)24)17(20)19(26)25(10)18-13(21)3-2-4-14(18)22/h2-8H,9H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as phosphorylation of fluorescently-labelled MK2 using Hsp27 peptide as substrate after 60 mins by fluorescence assay

Bioorg Med Chem Lett 21: 4059-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.120
BindingDB Entry DOI: 10.7270/Q25Q4WFH
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50092082
PNG
(CHEMBL3582441)
Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50092082
PNG
(CHEMBL3582441)
Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/m1/s1
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50092082
PNG
(CHEMBL3582441)
Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of NGF-activated full length TRKA (unknown origin) expressed in mouse BA/F3 cells assessed as inhibition of cell proliferation

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50092082
PNG
(CHEMBL3582441)
Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/m1/s1
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of TPM3-fused TRKA (unknown origin) expressed in human KM12 cells assessed as inhibition of cell proliferation after 48 hrs by luciferase ...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50092082
PNG
(CHEMBL3582441)
Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/m1/s1
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50092079
PNG
(CHEMBL3582439)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r|
Show InChI InChI=1S/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/m1/s1
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50092079
PNG
(CHEMBL3582439)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r|
Show InChI InChI=1S/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/m1/s1
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM140015
PNG
(US8901310, Comparator E)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(c1)C(=O)C[C@@H]1C[C@](O)(CC[C@@]21Cc1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C29H27F3N2O3/c1-18-24(8-5-13-33-18)34-26(36)20-9-10-23-22(14-20)25(35)15-21-17-28(37,29(30,31)32)12-11-27(21,23)16-19-6-3-2-4-7-19/h2-10,13-14,21,37H,11-12,15-17H2,1H3,(H,34,36)/t21-,27+,28-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM140013
PNG
(US8901310, Comparator C)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@@](O)(CCC(F)(F)F)CC[C@@]23Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C31H33F3N2O2/c1-21-27(8-5-17-35-21)36-28(37)24-10-12-26-23(18-24)9-11-25-20-29(38,14-16-31(32,33)34)13-15-30(25,26)19-22-6-3-2-4-7-22/h2-8,10,12,17-18,25,38H,9,11,13-16,19-20H2,1H3,(H,36,37)/t25-,29+,30+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM140015
PNG
(US8901310, Comparator E)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(c1)C(=O)C[C@@H]1C[C@](O)(CC[C@@]21Cc1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C29H27F3N2O3/c1-18-24(8-5-13-33-18)34-26(36)20-9-10-23-22(14-20)25(35)15-21-17-28(37,29(30,31)32)12-11-27(21,23)16-19-6-3-2-4-7-19/h2-10,13-14,21,37H,11-12,15-17H2,1H3,(H,34,36)/t21-,27+,28-/m1/s1
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n/an/a 1.18n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM140013
PNG
(US8901310, Comparator C)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@@](O)(CCC(F)(F)F)CC[C@@]23Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C31H33F3N2O2/c1-21-27(8-5-17-35-21)36-28(37)24-10-12-26-23(18-24)9-11-25-20-29(38,14-16-31(32,33)34)13-15-30(25,26)19-22-6-3-2-4-7-22/h2-8,10,12,17-18,25,38H,9,11,13-16,19-20H2,1H3,(H,36,37)/t25-,29+,30+/m1/s1
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n/an/a 1.22n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM140014
PNG
(US8901310, Comparator D)
Show SMILES Cc1ccncc1NC(=O)c1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C29H29F3N2O2/c1-19-11-14-33-18-25(19)34-26(35)22-8-10-24-21(15-22)7-9-23-17-28(36,29(30,31)32)13-12-27(23,24)16-20-5-3-2-4-6-20/h2-6,8,10-11,14-15,18,23,36H,7,9,12-13,16-17H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM140009
PNG
(US8901310, Example 1 )
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1
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n/an/a 1.31n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538514
PNG
(CHEMBL4644274)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(c(NC3CC(C)(C)N(C)C(C)(C)C3)nc12)-c1ccccc1
Show InChI InChI=1S/C30H38N6O2/c1-29(2)16-21(17-30(3,4)35(29)5)33-27-25(19-11-9-8-10-12-19)26(31)36-28(34-27)22(18-32-36)20-13-14-23(37-6)24(15-20)38-7/h8-15,18,21H,16-17,31H2,1-7H3,(H,33,34)
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n/an/a 1.70n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM140016
PNG
(US8901310, Comparator F)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(c1)[C@H](O)C[C@@H]1C[C@](O)(CC[C@@]21Cc1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C29H29F3N2O3/c1-18-24(8-5-13-33-18)34-26(36)20-9-10-23-22(14-20)25(35)15-21-17-28(37,29(30,31)32)12-11-27(21,23)16-19-6-3-2-4-7-19/h2-10,13-14,21,25,35,37H,11-12,15-17H2,1H3,(H,34,36)/t21-,25-,27+,28-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50347100
PNG
(CHEMBL1797203)
Show SMILES Cc1cccc(C)c1-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.24,-20.12,;29.24,-21.66,;30.57,-22.42,;30.57,-23.97,;29.24,-24.74,;27.91,-23.97,;26.57,-24.73,;27.92,-22.43,;26.58,-21.65,;26.58,-20.11,;27.92,-19.35,;25.25,-19.34,;23.92,-20.11,;22.59,-19.35,;21.26,-20.12,;19.92,-19.36,;18.6,-20.13,;17.27,-19.37,;17.26,-17.82,;15.92,-17.06,;18.59,-17.05,;19.92,-17.82,;21.26,-17.05,;23.92,-21.65,;22.59,-22.43,;25.25,-22.42,;25.25,-23.96,)|
Show InChI InChI=1S/C21H18BrF2NO2/c1-12-5-4-6-13(2)20(12)25-14(3)9-18(19(22)21(25)26)27-11-15-7-8-16(23)10-17(15)24/h4-10H,11H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as phosphorylation of fluorescently-labelled MK2 using Hsp27 peptide as substrate after 60 mins by fluorescence assay

Bioorg Med Chem Lett 21: 4059-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.120
BindingDB Entry DOI: 10.7270/Q25Q4WFH
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50092132
PNG
(CHEMBL3582440)
Show SMILES OC1CCN(CC1)c1cccc(n1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C26H27FN6O/c27-19-5-1-4-18(16-19)22-7-3-13-32(22)26-10-9-24-28-17-23(33(24)30-26)21-6-2-8-25(29-21)31-14-11-20(34)12-15-31/h1-2,4-6,8-10,16-17,20,22,34H,3,7,11-15H2/t22-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50092081
PNG
(CHEMBL3582442)
Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50347929
PNG
(CHEMBL1802632)
Show SMILES Cc1ccc(cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O)C(N)=O |(3.55,-6.94,;3.56,-8.48,;4.89,-9.25,;4.9,-10.79,;3.56,-11.57,;2.23,-10.8,;2.24,-9.26,;.9,-8.49,;.9,-6.94,;2.23,-6.16,;-.44,-6.17,;-1.77,-6.95,;-3.1,-6.18,;-4.44,-6.95,;-5.77,-6.18,;-7.09,-6.95,;-8.43,-6.18,;-8.43,-4.64,;-9.77,-3.87,;-7.1,-3.87,;-5.76,-4.64,;-4.43,-3.87,;-1.77,-8.49,;-3.1,-9.26,;-.44,-9.26,;-.44,-10.8,;3.56,-13.11,;4.9,-13.87,;2.23,-13.88,)|
Show InChI InChI=1S/C21H17BrF2N2O3/c1-11-3-4-13(20(25)27)8-17(11)26-12(2)7-18(19(22)21(26)28)29-10-14-5-6-15(23)9-16(14)24/h3-9H,10H2,1-2H3,(H2,25,27)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as phosphorylation FITC-labeled Hsp27 after 60 mins by fluorescence based cascade assay

Bioorg Med Chem Lett 21: 4066-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.121
BindingDB Entry DOI: 10.7270/Q2SB46R2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM140014
PNG
(US8901310, Comparator D)
Show SMILES Cc1ccncc1NC(=O)c1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C29H29F3N2O2/c1-19-11-14-33-18-25(19)34-26(35)22-8-10-24-21(15-22)7-9-23-17-28(36,29(30,31)32)13-12-27(23,24)16-20-5-3-2-4-6-20/h2-6,8,10-11,14-15,18,23,36H,7,9,12-13,16-17H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1
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n/an/a 2.06n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM140017
PNG
(US8901310, Comparator G)
Show SMILES Cc1c(NC(=O)c2ccc3c(CC[C@@H]4C[C@](O)(CC[C@@]34Cc3ccccc3)C(F)(F)F)c2)ccc[n+]1[O-] |r|
Show InChI InChI=1S/C29H29F3N2O3/c1-19-25(8-5-15-34(19)37)33-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,33,35)/t23-,27+,28-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM140017
PNG
(US8901310, Comparator G)
Show SMILES Cc1c(NC(=O)c2ccc3c(CC[C@@H]4C[C@](O)(CC[C@@]34Cc3ccccc3)C(F)(F)F)c2)ccc[n+]1[O-] |r|
Show InChI InChI=1S/C29H29F3N2O3/c1-19-25(8-5-15-34(19)37)33-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,33,35)/t23-,27+,28-/m1/s1
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n/an/a 2.13n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50314073
PNG
(3-(3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-ox...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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n/an/a 2.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as phosphorylation FITC-labeled Hsp27 after 60 mins by fluorescence based cascade assay

Bioorg Med Chem Lett 21: 4066-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.121
BindingDB Entry DOI: 10.7270/Q2SB46R2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50314073
PNG
(3-(3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-ox...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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n/an/a 2.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as phosphorylation FITC-labeled Hsp27 after 60 mins by fluorescence based cascade assay

Bioorg Med Chem Lett 21: 4066-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.121
BindingDB Entry DOI: 10.7270/Q2SB46R2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50314073
PNG
(3-(3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-ox...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as phosphorylation FITC-labeled Hsp27 after 60 mins by fluorescence based cascade assay

Bioorg Med Chem Lett 21: 4066-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.121
BindingDB Entry DOI: 10.7270/Q2SB46R2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Interleukin-6


(Homo sapiens (Human))		BDBM140019
PNG
(US8901310, Comparator I)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(C=C[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)(F)F)c1 |r,c:16|
Show InChI InChI=1S/C29H27F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-12,15-16,23,36H,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50347938
PNG
(CHEMBL1802637)
Show SMILES CNC(=O)c1ccc(Cl)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(35.79,-26.5,;35.75,-24.96,;37.07,-24.16,;38.42,-24.9,;37.04,-22.63,;38.37,-21.85,;38.37,-20.31,;37.03,-19.54,;37.02,-18,;35.71,-20.32,;35.71,-21.86,;34.38,-19.55,;34.37,-18,;35.7,-17.22,;33.04,-17.23,;31.71,-18.01,;30.37,-17.24,;29.04,-18.01,;27.71,-17.24,;26.38,-18.01,;25.05,-17.24,;25.04,-15.7,;23.71,-14.93,;26.38,-14.93,;27.71,-15.7,;29.05,-14.93,;31.71,-19.55,;30.37,-20.32,;33.04,-20.32,;33.04,-21.86,)|
Show InChI InChI=1S/C21H16BrClF2N2O3/c1-11-7-18(30-10-13-3-5-14(24)9-16(13)25)19(22)21(29)27(11)17-8-12(20(28)26-2)4-6-15(17)23/h3-9H,10H2,1-2H3,(H,26,28)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as phosphorylation FITC-labeled Hsp27 after 60 mins by fluorescence based cascade assay

Bioorg Med Chem Lett 21: 4066-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.121
BindingDB Entry DOI: 10.7270/Q2SB46R2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50347096
PNG
(CHEMBL1797123)
Show SMILES Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F |(2.41,3.39,;1.07,2.62,;-.26,3.4,;-1.59,2.62,;-2.92,3.39,;-4.25,2.61,;-5.59,3.38,;-6.91,2.6,;-8.25,3.36,;-8.26,4.91,;-9.59,5.67,;-6.92,5.68,;-5.59,4.92,;-4.25,5.69,;-1.59,1.08,;-2.92,.31,;-.26,.32,;-.26,-1.22,;1.07,1.08,;2.4,.31,;3.73,1.08,;3.73,2.62,;5.06,.31,;5.06,-1.23,;3.73,-2,;2.4,-1.23,;1.06,-2,)|
Show InChI InChI=1S/C19H12BrF4NO2/c1-10-7-16(27-9-11-5-6-12(21)8-15(11)24)17(20)19(26)25(10)18-13(22)3-2-4-14(18)23/h2-8H,9H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as phosphorylation of fluorescently-labelled MK2 using Hsp27 peptide as substrate after 60 mins by fluorescence assay

Bioorg Med Chem Lett 21: 4059-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.120
BindingDB Entry DOI: 10.7270/Q25Q4WFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50347106
PNG
(CHEMBL1797209)
Show SMILES Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cc(OCC(N)=O)cc1F |(24.13,3.5,;22.79,2.74,;21.47,3.52,;20.14,2.74,;18.8,3.5,;17.47,2.73,;16.13,3.5,;14.81,2.72,;13.48,3.48,;13.47,5.03,;12.13,5.79,;14.8,5.8,;16.14,5.03,;17.47,5.8,;20.14,1.2,;18.8,.43,;21.47,.44,;21.47,-1.1,;22.79,1.2,;24.13,.43,;25.45,1.19,;25.45,2.73,;26.78,.43,;26.79,-1.12,;28.12,-1.89,;29.45,-1.12,;30.79,-1.89,;32.12,-1.12,;30.79,-3.43,;25.45,-1.89,;24.12,-1.11,;22.78,-1.88,)|
Show InChI InChI=1S/C21H15BrF4N2O4/c1-10-4-17(32-8-11-2-3-12(23)5-14(11)24)19(22)21(30)28(10)20-15(25)6-13(7-16(20)26)31-9-18(27)29/h2-7H,8-9H2,1H3,(H2,27,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as phosphorylation of fluorescently-labelled MK2 using Hsp27 peptide as substrate after 60 mins by fluorescence assay

Bioorg Med Chem Lett 21: 4059-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.120
BindingDB Entry DOI: 10.7270/Q25Q4WFH
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50092104
PNG
(CHEMBL3582432)
Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(NC(=O)C5CCOCC5)cc4)n3n2)c1
Show InChI InChI=1S/C22H30N4O4/c27-20(28)12-19-21(29)24-13-17-11-16(1-2-18(17)25-19)22(30)26-9-5-15(6-10-26)14-3-7-23-8-4-14/h1-2,11,14-15,19,23,25H,3-10,12-13H2,(H,24,29)(H,27,28)/t19-/m0/s1
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50092085
PNG
(CHEMBL3582438)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r|
Show InChI InChI=1S/C23H18FN5/c24-19-4-1-3-18(13-19)20-5-2-12-28(20)23-11-10-22-26-15-21(29(22)27-23)17-8-6-16(14-25)7-9-17/h1,3-4,6-11,13,15,20H,2,5,12H2/t20-/m1/s1
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50092081
PNG
(CHEMBL3582442)
Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/m1/s1
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of NGF-activated full length TRKA (unknown origin) expressed in mouse BA/F3 cells assessed as inhibition of cell proliferation

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50092079
PNG
(CHEMBL3582439)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r|
Show InChI InChI=1S/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/m1/s1
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538516
PNG
(CHEMBL4643578)
Show SMILES COC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnn2c(N)c(c(NC3CC(C)(C)N(C)C(C)(C)C3)nc12)-c1ccccc1
Show InChI InChI=1S/C35H44N8O3/c1-34(2)20-26(21-35(3,4)40(34)5)38-30-28(24-10-8-7-9-11-24)29(36)43-31(39-30)27(22-37-43)23-12-14-25(15-13-23)32(44)41-16-18-42(19-17-41)33(45)46-6/h7-15,22,26H,16-21,36H2,1-6H3,(H,38,39)
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n/an/a 3.30n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50097956
PNG
(3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)
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TBA

Assay Description
Inhibition of RET (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferati...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00450
BindingDB Entry DOI: 10.7270/Q23R0XP8
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50092081
PNG
(CHEMBL3582442)
Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/m1/s1
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50347126
PNG
(CHEMBL1797124)
Show SMILES Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1c(F)cccc1F |(27.98,3.45,;26.64,2.68,;25.32,3.46,;23.99,2.68,;22.65,3.45,;21.32,2.68,;19.98,3.44,;18.66,2.66,;17.33,3.42,;17.32,4.97,;15.98,5.74,;18.65,5.75,;19.99,4.98,;21.32,5.75,;23.99,1.14,;22.65,.37,;25.32,.38,;25.32,-1.16,;26.64,1.14,;27.98,.37,;29.3,1.14,;29.3,2.68,;30.63,.38,;30.64,-1.17,;29.3,-1.94,;27.97,-1.17,;26.63,-1.93,)|
Show InChI InChI=1S/C19H12ClF4NO2/c1-10-7-16(27-9-11-5-6-12(21)8-15(11)24)17(20)19(26)25(10)18-13(22)3-2-4-14(18)23/h2-8H,9H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as phosphorylation of fluorescently-labelled MK2 using Hsp27 peptide as substrate after 60 mins by fluorescence assay

Bioorg Med Chem Lett 21: 4059-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.120
BindingDB Entry DOI: 10.7270/Q25Q4WFH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50347937
PNG
(CHEMBL1802641)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(CO)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(2.58,-49.12,;2.54,-47.58,;3.86,-46.78,;5.21,-47.52,;3.83,-45.24,;5.16,-44.47,;5.15,-42.92,;3.82,-42.16,;3.81,-40.62,;2.5,-42.93,;2.49,-44.48,;1.17,-42.17,;1.16,-40.62,;2.49,-39.84,;2.49,-38.3,;-.17,-39.85,;-1.5,-40.62,;-2.84,-39.85,;-4.17,-40.62,;-5.5,-39.85,;-6.83,-40.62,;-8.16,-39.86,;-8.17,-38.31,;-9.5,-37.55,;-6.83,-37.54,;-5.5,-38.31,;-4.16,-37.55,;-1.51,-42.17,;-2.84,-42.94,;-.17,-42.94,;-.17,-44.48,)|
Show InChI InChI=1S/C22H19BrF2N2O4/c1-12-3-4-13(21(29)26-2)7-18(12)27-16(10-28)9-19(20(23)22(27)30)31-11-14-5-6-15(24)8-17(14)25/h3-9,28H,10-11H2,1-2H3,(H,26,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as phosphorylation FITC-labeled Hsp27 after 60 mins by fluorescence based cascade assay

Bioorg Med Chem Lett 21: 4066-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.121
BindingDB Entry DOI: 10.7270/Q2SB46R2
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM140012
PNG
(US8901310, Comparator B)
Show SMILES Cc1cnc(NC(=O)c2ccc3c(CC[C@@H]4C[C@](O)(CC[C@@]34Cc3ccccc3)C(F)(F)F)c2)c(C)n1 |r|
Show InChI InChI=1S/C29H30F3N3O2/c1-18-17-33-25(19(2)34-18)35-26(36)22-9-11-24-21(14-22)8-10-23-16-28(37,29(30,31)32)13-12-27(23,24)15-20-6-4-3-5-7-20/h3-7,9,11,14,17,23,37H,8,10,12-13,15-16H2,1-2H3,(H,33,35,36)/t23-,27+,28-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50092132
PNG
(CHEMBL3582440)
Show SMILES OC1CCN(CC1)c1cccc(n1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C26H27FN6O/c27-19-5-1-4-18(16-19)22-7-3-13-32(22)26-10-9-24-28-17-23(33(24)30-26)21-6-2-8-25(29-21)31-14-11-20(34)12-15-31/h1-2,4-6,8-10,16-17,20,22,34H,3,7,11-15H2/t22-/m1/s1
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50092086
PNG
(CHEMBL3582433)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(NCc3cccc(F)c3)nn12
Show InChI InChI=1S/C19H16FN5O2S/c20-15-3-1-2-13(10-15)11-22-18-8-9-19-23-12-17(25(19)24-18)14-4-6-16(7-5-14)28(21,26)27/h1-10,12H,11H2,(H,22,24)(H2,21,26,27)
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n/an/a 4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50092081
PNG
(CHEMBL3582442)
Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...

ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Interleukin-6


(Homo sapiens (Human))		BDBM140018
PNG
(US8901310, Comparator H)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)F)c1 |r|
Show InChI InChI=1S/C29H30F2N2O2/c1-19-25(8-5-15-32-19)33-26(34)22-10-12-24-21(16-22)9-11-23-18-29(35,27(30)31)14-13-28(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,27,35H,9,11,13-14,17-18H2,1H3,(H,33,34)/t23-,28+,29-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...

US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
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