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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'kraus' and Initial = 'ml'   
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
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50457839
PNG
(CHEMBL4211921)
Show SMILES Cn1cc(cn1)-c1ccc(O[C@@H]2CCN(C2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O |r|
Show InChI InChI=1S/C23H22F3N5O4/c1-30-12-15(11-28-30)18-6-7-19(21(29-18)22(27)33)34-17-8-9-31(13-17)20(32)10-14-2-4-16(5-3-14)35-23(24,25)26/h2-7,11-12,17H,8-10,13H2,1H3,(H2,27,33)/t17-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50457826
PNG
(CHEMBL4216500)
Show SMILES Cn1cnc(c1)-c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
Show InChI InChI=1S/C22H20F5N5O3/c1-31-9-16(30-12-31)14-7-17(20(28)29-8-14)34-18-10-32(11-21(18,23)24)19(33)6-13-2-4-15(5-3-13)35-22(25,26)27/h2-5,7-9,12,18H,6,10-11H2,1H3,(H2,28,29)/t18-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50457833
PNG
(CHEMBL4210892)
Show SMILES Cn1cnc(c1)-c1cnc(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r|
Show InChI InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50503234
PNG
(CHEMBL4575703)
Show SMILES NC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2cccc(N)n2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H16Cl2N6O2/c23-15-10-16(24)14(9-13(15)17-7-4-8-19(25)27-17)22(32)28-20-11-18(21(26)31)29-30(20)12-5-2-1-3-6-12/h1-11H,(H2,25,27)(H2,26,31)(H,28,32)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50457825
PNG
(CHEMBL4207042)
Show SMILES CNC(=O)c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
Show InChI InChI=1S/C20H19F5N4O4/c1-27-18(31)12-7-14(17(26)28-8-12)32-15-9-29(10-19(15,21)22)16(30)6-11-2-4-13(5-3-11)33-20(23,24)25/h2-5,7-8,15H,6,9-10H2,1H3,(H2,26,28)(H,27,31)/t15-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50457837
PNG
(CHEMBL4215846)
Show SMILES Cn1cnc(c1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Show InChI InChI=1S/C25H25F3N4O4/c1-31-14-21(30-15-31)17-4-7-22(20(13-17)24(29)34)35-18-8-10-32(11-9-18)23(33)12-16-2-5-19(6-3-16)36-25(26,27)28/h2-7,13-15,18H,8-12H2,1H3,(H2,29,34)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50457833
PNG
(CHEMBL4210892)
Show SMILES Cn1cnc(c1)-c1cnc(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O |r|
Show InChI InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50457839
PNG
(CHEMBL4211921)
Show SMILES Cn1cc(cn1)-c1ccc(O[C@@H]2CCN(C2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O |r|
Show InChI InChI=1S/C23H22F3N5O4/c1-30-12-15(11-28-30)18-6-7-19(21(29-18)22(27)33)34-17-8-9-31(13-17)20(32)10-14-2-4-16(5-3-14)35-23(24,25)26/h2-7,11-12,17H,8-10,13H2,1H3,(H2,27,33)/t17-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50457827
PNG
(CHEMBL4203759)
Show SMILES CC(C)(O)COc1ccc(C(N)=O)c(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
Show InChI InChI=1S/C25H28F4N2O6/c1-24(2,34)14-35-17-7-8-18(23(30)33)21(12-17)36-20-9-10-31(13-19(20)26)22(32)11-15-3-5-16(6-4-15)37-25(27,28)29/h3-8,12,19-20,34H,9-11,13-14H2,1-2H3,(H2,30,33)/t19-,20+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226354
PNG
(US9328096, 47)
Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at unphosphorylated human His-tagged TrkA (441 to 796 residues) expressed in baculovirus expression system preincubated for 20 mi...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50457824
PNG
(CHEMBL4204174)
Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Show InChI InChI=1S/C25H25F3N4O4/c1-31-15-18(14-30-31)17-4-7-22(21(13-17)24(29)34)35-19-8-10-32(11-9-19)23(33)12-16-2-5-20(6-3-16)36-25(26,27)28/h2-7,13-15,19H,8-12H2,1H3,(H2,29,34)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50503233
PNG
(CHEMBL4465781)
Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ncccc2F)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H22Cl2FN5O3/c1-26(2,37)14-31-25(36)21-13-22(34(33-21)15-7-4-3-5-8-15)32-24(35)17-11-16(18(27)12-19(17)28)23-20(29)9-6-10-30-23/h3-13,37H,14H2,1-2H3,(H,31,36)(H,32,35)
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n/an/a 4.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226350
PNG
(US9328096, 43)
Show SMILES OCCNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ncccc2F)n(n1)-c1ccccc1
Show InChI InChI=1S/C24H18Cl2FN5O3/c25-17-12-18(26)16(11-15(17)22-19(27)7-4-8-28-22)23(34)30-21-13-20(24(35)29-9-10-33)31-32(21)14-5-2-1-3-6-14/h1-8,11-13,33H,9-10H2,(H,29,35)(H,30,34)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50457828
PNG
(CHEMBL4218103)
Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)15-2-7-21(20(12-15)22(28)33)35-18-8-10-32(11-9-18)23(34)30-17-3-5-19(6-4-17)36-24(25,26)27/h2-7,12-14,18H,8-11H2,1H3,(H2,28,33)(H,30,34)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Rattus norvegicus)		BDBM226354
PNG
(US9328096, 47)
Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at unphosphorylated rat TrkA expressed in baculovirus expression system preincubated for 20 mins followed by TK-substrate-Biotin ...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50457837
PNG
(CHEMBL4215846)
Show SMILES Cn1cnc(c1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Show InChI InChI=1S/C25H25F3N4O4/c1-31-14-21(30-15-31)17-4-7-22(20(13-17)24(29)34)35-18-8-10-32(11-9-18)23(33)12-16-2-5-19(6-3-16)36-25(26,27)28/h2-7,13-15,18H,8-12H2,1H3,(H2,29,34)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50457825
PNG
(CHEMBL4207042)
Show SMILES CNC(=O)c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
Show InChI InChI=1S/C20H19F5N4O4/c1-27-18(31)12-7-14(17(26)28-8-12)32-15-9-29(10-19(15,21)22)16(30)6-11-2-4-13(5-3-11)33-20(23,24)25/h2-5,7-8,15H,6,9-10H2,1H3,(H2,26,28)(H,27,31)/t15-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50457829
PNG
(CHEMBL4208510)
Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O
Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)19-6-7-20(22(30-19)23(28)34)35-17-8-10-32(11-9-17)21(33)12-15-2-4-18(5-3-15)36-24(25,26)27/h2-7,13-14,17H,8-12H2,1H3,(H2,28,34)
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n/an/a 6.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50457837
PNG
(CHEMBL4215846)
Show SMILES Cn1cnc(c1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Show InChI InChI=1S/C25H25F3N4O4/c1-31-14-21(30-15-31)17-4-7-22(20(13-17)24(29)34)35-18-8-10-32(11-9-18)23(33)12-16-2-5-19(6-3-16)36-25(26,27)28/h2-7,13-15,18H,8-12H2,1H3,(H2,29,34)
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50457839
PNG
(CHEMBL4211921)
Show SMILES Cn1cc(cn1)-c1ccc(O[C@@H]2CCN(C2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O |r|
Show InChI InChI=1S/C23H22F3N5O4/c1-30-12-15(11-28-30)18-6-7-19(21(29-18)22(27)33)34-17-8-9-31(13-17)20(32)10-14-2-4-16(5-3-14)35-23(24,25)26/h2-7,11-12,17H,8-10,13H2,1H3,(H2,27,33)/t17-/m1/s1
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n/an/a 7.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50457836
PNG
(CHEMBL4213038)
Show SMILES Cn1cnc(c1)-c1cnc(N)c(O[C@@H]2CN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
Show InChI InChI=1S/C22H21F4N5O3/c1-30-10-17(29-12-30)14-7-18(21(27)28-8-14)33-19-11-31(9-16(19)23)20(32)6-13-2-4-15(5-3-13)34-22(24,25)26/h2-5,7-8,10,12,16,19H,6,9,11H2,1H3,(H2,27,28)/t16-,19-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50457825
PNG
(CHEMBL4207042)
Show SMILES CNC(=O)c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
Show InChI InChI=1S/C20H19F5N4O4/c1-27-18(31)12-7-14(17(26)28-8-12)32-15-9-29(10-19(15,21)22)16(30)6-11-2-4-13(5-3-11)33-20(23,24)25/h2-5,7-8,15H,6,9-10H2,1H3,(H2,26,28)(H,27,31)/t15-/m0/s1
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n/an/a 8.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50457829
PNG
(CHEMBL4208510)
Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O
Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)19-6-7-20(22(30-19)23(28)34)35-17-8-10-32(11-9-17)21(33)12-15-2-4-18(5-3-15)36-24(25,26)27/h2-7,13-14,17H,8-12H2,1H3,(H2,28,34)
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n/an/a 8.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction ...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50457824
PNG
(CHEMBL4204174)
Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Show InChI InChI=1S/C25H25F3N4O4/c1-31-15-18(14-30-31)17-4-7-22(21(13-17)24(29)34)35-19-8-10-32(11-9-19)23(33)12-16-2-5-20(6-3-16)36-25(26,27)28/h2-7,13-15,19H,8-12H2,1H3,(H2,29,34)
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n/an/a 8.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226502
PNG
(US9328096, 195)
Show SMILES Clc1cc(Cl)c(cc1C(=O)Nc1cc(nn1-c1ccccc1)C(=O)NC1COC1)-c1ccccn1
Show InChI InChI=1S/C25H19Cl2N5O3/c26-19-11-20(27)18(10-17(19)21-8-4-5-9-28-21)24(33)30-23-12-22(25(34)29-15-13-35-14-15)31-32(23)16-6-2-1-3-7-16/h1-12,15H,13-14H2,(H,29,34)(H,30,33)
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n/an/a 9.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50457840
PNG
(CHEMBL4216371)
Show SMILES CCNC(=O)c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
Show InChI InChI=1S/C21H21F5N4O4/c1-2-28-19(32)13-8-15(18(27)29-9-13)33-16-10-30(11-20(16,22)23)17(31)7-12-3-5-14(6-4-12)34-21(24,25)26/h3-6,8-9,16H,2,7,10-11H2,1H3,(H2,27,29)(H,28,32)/t16-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50457823
PNG
(CHEMBL4204070)
Show SMILES Cn1cnc(c1)-c1cnc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Show InChI InChI=1S/C24H24F3N5O4/c1-31-13-20(30-14-31)16-11-19(22(28)34)23(29-12-16)35-17-6-8-32(9-7-17)21(33)10-15-2-4-18(5-3-15)36-24(25,26)27/h2-5,11-14,17H,6-10H2,1H3,(H2,28,34)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226354
PNG
(US9328096, 47)
Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50457831
PNG
(CHEMBL4207464)
Show SMILES Cn1cnc(c1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)c(F)c2)c(c1)C(N)=O
Show InChI InChI=1S/C25H24F4N4O4/c1-32-13-20(31-14-32)16-3-5-21(18(12-16)24(30)35)36-17-6-8-33(9-7-17)23(34)11-15-2-4-22(19(26)10-15)37-25(27,28)29/h2-5,10,12-14,17H,6-9,11H2,1H3,(H2,30,35)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50457830
PNG
(CHEMBL4211826)
Show SMILES C[C@H](C(=O)N1CCC(CC1)Oc1ccc(cc1C(N)=O)-c1cn(C)cn1)c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C26H27F3N4O4/c1-16(17-3-6-20(7-4-17)37-26(27,28)29)25(35)33-11-9-19(10-12-33)36-23-8-5-18(13-21(23)24(30)34)22-14-32(2)15-31-22/h3-8,13-16,19H,9-12H2,1-2H3,(H2,30,34)/t16-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226375
PNG
(US9328096, 68)
Show SMILES NC(=O)c1cc(NC(=O)c2cc(c(F)cc2Cl)-c2ncccc2F)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H14ClF2N5O2/c23-15-10-17(25)14(20-16(24)7-4-8-27-20)9-13(15)22(32)28-19-11-18(21(26)31)29-30(19)12-5-2-1-3-6-12/h1-11H,(H2,26,31)(H,28,32)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226362
PNG
(US9328096, 55)
Show SMILES NC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H15Cl2N5O2/c23-16-11-17(24)15(10-14(16)18-8-4-5-9-26-18)22(31)27-20-12-19(21(25)30)28-29(20)13-6-2-1-3-7-13/h1-12H,(H2,25,30)(H,27,31)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226366
PNG
(US9328096, 59)
Show SMILES OCCNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1
Show InChI InChI=1S/C24H19Cl2N5O3/c25-18-13-19(26)17(12-16(18)20-8-4-5-9-27-20)23(33)29-22-14-21(24(34)28-10-11-32)30-31(22)15-6-2-1-3-7-15/h1-9,12-14,32H,10-11H2,(H,28,34)(H,29,33)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50457827
PNG
(CHEMBL4203759)
Show SMILES CC(C)(O)COc1ccc(C(N)=O)c(O[C@H]2CCN(C[C@H]2F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
Show InChI InChI=1S/C25H28F4N2O6/c1-24(2,34)14-35-17-7-8-18(23(30)33)21(12-17)36-20-9-10-31(13-19(20)26)22(32)11-15-3-5-16(6-4-15)37-25(27,28)29/h3-8,12,19-20,34H,9-11,13-14H2,1-2H3,(H2,30,33)/t19-,20+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50503235
PNG
(CHEMBL4550037)
Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2nc(N)ccc2Cl)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H16Cl2N6O2/c23-15-7-6-12(20-16(24)8-9-18(25)27-20)10-14(15)22(32)28-19-11-17(21(26)31)29-30(19)13-4-2-1-3-5-13/h1-11H,(H2,25,27)(H2,26,31)(H,28,32)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50457829
PNG
(CHEMBL4208510)
Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(n1)C(N)=O
Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)19-6-7-20(22(30-19)23(28)34)35-17-8-10-32(11-9-17)21(33)12-15-2-4-18(5-3-15)36-24(25,26)27/h2-7,13-14,17H,8-12H2,1H3,(H2,28,34)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226348
PNG
(US9328096, 41)
Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(F)cc2Cl)-c2ncccc2F)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H22ClF2N5O3/c1-26(2,37)14-31-25(36)21-13-22(34(33-21)15-7-4-3-5-8-15)32-24(35)16-11-17(20(29)12-18(16)27)23-19(28)9-6-10-30-23/h3-13,37H,14H2,1-2H3,(H,31,36)(H,32,35)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50457828
PNG
(CHEMBL4218103)
Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)15-2-7-21(20(12-15)22(28)33)35-18-8-10-32(11-9-18)23(34)30-17-3-5-19(6-4-17)36-24(25,26)27/h2-7,12-14,18H,8-11H2,1H3,(H2,28,33)(H,30,34)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50503231
PNG
(CHEMBL4460719)
Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2cccc(N)n2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H17ClN6O2/c23-16-10-9-13(17-7-4-8-19(24)26-17)11-15(16)22(31)27-20-12-18(21(25)30)28-29(20)14-5-2-1-3-6-14/h1-12H,(H2,24,26)(H2,25,30)(H,27,31)
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at unphosphorylated human His-tagged TrkA (441 to 796 residues) expressed in baculovirus expression system preincubated for 20 mi...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50457828
PNG
(CHEMBL4218103)
Show SMILES Cn1cc(cn1)-c1ccc(OC2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
Show InChI InChI=1S/C24H24F3N5O4/c1-31-14-16(13-29-31)15-2-7-21(20(12-15)22(28)33)35-18-8-10-32(11-9-18)23(34)30-17-3-5-19(6-4-17)36-24(25,26)27/h2-7,12-14,18H,8-11H2,1H3,(H2,28,33)(H,30,34)
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n/an/a 29n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226447
PNG
(US9328096, 140)
Show SMILES OCCNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(cc2Cl)C(F)(F)F)n(n1)-c1ccccc1
Show InChI InChI=1S/C25H19ClF3N5O3/c26-19-13-18(25(27,28)29)16(20-8-4-5-9-30-20)12-17(19)23(36)32-22-14-21(24(37)31-10-11-35)33-34(22)15-6-2-1-3-7-15/h1-9,12-14,35H,10-11H2,(H,31,37)(H,32,36)
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226358
PNG
(US9328096, 51)
Show SMILES NCCNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1
Show InChI InChI=1S/C24H20Cl2N6O2/c25-18-13-19(26)17(12-16(18)20-8-4-5-10-28-20)23(33)30-22-14-21(24(34)29-11-9-27)31-32(22)15-6-2-1-3-7-15/h1-8,10,12-14H,9,11,27H2,(H,29,34)(H,30,33)
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n/an/a 31n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226379
PNG
(US9328096, 72)
Show SMILES CC(=O)Nc1cccc(n1)-c1ccc(Cl)c(c1)C(=O)Nc1cc(nn1-c1ccccc1)C(N)=O
Show InChI InChI=1S/C24H19ClN6O3/c1-14(32)27-21-9-5-8-19(28-21)15-10-11-18(25)17(12-15)24(34)29-22-13-20(23(26)33)30-31(22)16-6-3-2-4-7-16/h2-13H,1H3,(H2,26,33)(H,29,34)(H,27,28,32)
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n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226388
PNG
(US9328096, 81)
Show SMILES NC(=O)c1cc(NC(=O)c2cc(c(F)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H15ClFN5O2/c23-16-11-17(24)15(18-8-4-5-9-26-18)10-14(16)22(31)27-20-12-19(21(25)30)28-29(20)13-6-2-1-3-7-13/h1-12H,(H2,25,30)(H,27,31)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50457841
PNG
(CHEMBL4208942)
Show SMILES Cn1cnc(c1)-c1ccc(OC2CCN(CC2)C(=O)Cc2ccc(OC3CC3)c(F)c2)c(c1)C(N)=O
Show InChI InChI=1S/C27H29FN4O4/c1-31-15-23(30-16-31)18-3-7-24(21(14-18)27(29)34)35-20-8-10-32(11-9-20)26(33)13-17-2-6-25(22(28)12-17)36-19-4-5-19/h2-3,6-7,12,14-16,19-20H,4-5,8-11,13H2,1H3,(H2,29,34)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduc...

J Med Chem 61: 6779-6800 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00633
BindingDB Entry DOI: 10.7270/Q2K64MPW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226387
PNG
(US9328096, 80)
Show SMILES Cc1cc(Cl)c(cc1-c1ccccn1)C(=O)Nc1cc(nn1-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H18ClN5O2/c1-14-11-18(24)17(12-16(14)19-9-5-6-10-26-19)23(31)27-21-13-20(22(25)30)28-29(21)15-7-3-2-4-8-15/h2-13H,1H3,(H2,25,30)(H,27,31)
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n/an/a 41n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50503231
PNG
(CHEMBL4460719)
Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2cccc(N)n2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H17ClN6O2/c23-16-10-9-13(17-7-4-8-19(24)26-17)11-15(16)22(31)27-20-12-18(21(25)30)28-29(20)14-5-2-1-3-6-14/h1-12H,(H2,24,26)(H2,25,30)(H,27,31)
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n/an/a 50n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Rattus norvegicus)		BDBM226354
PNG
(US9328096, 47)
Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)
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n/an/a 57n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at TrkA in rat DRG assessed as inhibition of NGF-induced ERK phosphorylation preincubated for 60 mins followed by NGF addition an...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226354
PNG
(US9328096, 47)
Show SMILES CC(C)(O)CNC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccccn2)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H23Cl2N5O3/c1-26(2,36)15-30-25(35)22-14-23(33(32-22)16-8-4-3-5-9-16)31-24(34)18-12-17(19(27)13-20(18)28)21-10-6-7-11-29-21/h3-14,36H,15H2,1-2H3,(H,30,35)(H,31,34)
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n/an/a 74n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at phosphorylated human His-tagged TrkA (441 to 796 residues) expressed in baculovirus expression system preincubated for 20 mins...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM226377
PNG
(US9328096, 70)
Show SMILES NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)-c2ncccc2F)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H15ClFN5O2/c23-16-9-8-13(20-17(24)7-4-10-26-20)11-15(16)22(31)27-19-12-18(21(25)30)28-29(19)14-5-2-1-3-6-14/h1-12H,(H2,25,30)(H,27,31)
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n/an/a 74n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by meas...

J Med Chem 62: 247-265 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00280
BindingDB Entry DOI: 10.7270/Q2QR51CZ
More data for this
Ligand-Target Pair
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