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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50007227   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM374727
PNG
((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Show SMILES C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r|
Show InChI InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA G595R mutant (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50193395
PNG
(Altiratinib | DCC-2701 | DP-5164)
Show SMILES Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1
Show InChI InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
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n/an/a 0.850n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50507492
PNG
(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Show SMILES C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)N1)c3n2
Show InChI InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1
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n/an/a 0.980n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA G667C mutant (unknown origin) using poly-EAY peptide as substrate in presence of gamma-33ATP by LanthaScreen assay


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50172078
PNG
(LY-2801653 | Merestinib)
Show SMILES Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)
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n/an/a 1.20n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin) by FISH assay


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50467574
PNG
(MG-516 | MG-91516 | MGCD-516 | MGCD516 | Sitravati...)
Show SMILES COCCNCc1ccc(nc1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2s1
Show InChI InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)
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n/an/a 1.5n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of AXL (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50299148
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
Show InChI InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of IR (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50299148
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
Show InChI InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of IGF-1R (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50507492
PNG
(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Show SMILES C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)N1)c3n2
Show InChI InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA G595R mutant (unknown origin) using poly-EAY peptide as substrate in presence of gamma-33ATP by LanthaScreen assay


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM136597
PNG
(US10005783, 14 | US10047097, 14 | US10774085, Exam...)
Show SMILES O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin) by FISH assay


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50193395
PNG
(Altiratinib | DCC-2701 | DP-5164)
Show SMILES Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1
Show InChI InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
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n/an/a 2.70n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50396243
PNG
(CHEMBL2172308 | US10370379, Compound TSR-011)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.34,-25.87,;19.83,-25.56,;19.35,-24.09,;18.81,-26.7,;17.3,-26.39,;16.27,-27.53,;16.82,-24.92,;15.31,-24.6,;14.83,-23.15,;15.87,-22,;17.37,-22.31,;17.85,-23.77,;15.38,-20.54,;16.29,-19.28,;17.83,-19.27,;18.59,-17.94,;17.81,-16.61,;20.13,-17.93,;20.9,-19.25,;22.44,-19.25,;23.2,-17.91,;24.74,-17.9,;22.42,-16.57,;20.88,-16.59,;15.37,-18.03,;13.9,-18.52,;12.56,-17.76,;11.23,-18.53,;11.23,-20.07,;9.9,-20.84,;8.56,-20.07,;8.56,-18.53,;7.24,-17.76,;5.9,-18.52,;5.9,-20.06,;7.23,-20.84,;4.56,-17.74,;3.79,-16.41,;5.33,-16.4,;3.23,-18.51,;12.56,-20.84,;13.9,-20.07,)|
Show InChI InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)/t24-,27+
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n/an/a<3n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKC (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50396243
PNG
(CHEMBL2172308 | US10370379, Compound TSR-011)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.34,-25.87,;19.83,-25.56,;19.35,-24.09,;18.81,-26.7,;17.3,-26.39,;16.27,-27.53,;16.82,-24.92,;15.31,-24.6,;14.83,-23.15,;15.87,-22,;17.37,-22.31,;17.85,-23.77,;15.38,-20.54,;16.29,-19.28,;17.83,-19.27,;18.59,-17.94,;17.81,-16.61,;20.13,-17.93,;20.9,-19.25,;22.44,-19.25,;23.2,-17.91,;24.74,-17.9,;22.42,-16.57,;20.88,-16.59,;15.37,-18.03,;13.9,-18.52,;12.56,-17.76,;11.23,-18.53,;11.23,-20.07,;9.9,-20.84,;8.56,-20.07,;8.56,-18.53,;7.24,-17.76,;5.9,-18.52,;5.9,-20.06,;7.23,-20.84,;4.56,-17.74,;3.79,-16.41,;5.33,-16.4,;3.23,-18.51,;12.56,-20.84,;13.9,-20.07,)|
Show InChI InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)/t24-,27+
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n/an/a<3n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKB (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50396243
PNG
(CHEMBL2172308 | US10370379, Compound TSR-011)
Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.34,-25.87,;19.83,-25.56,;19.35,-24.09,;18.81,-26.7,;17.3,-26.39,;16.27,-27.53,;16.82,-24.92,;15.31,-24.6,;14.83,-23.15,;15.87,-22,;17.37,-22.31,;17.85,-23.77,;15.38,-20.54,;16.29,-19.28,;17.83,-19.27,;18.59,-17.94,;17.81,-16.61,;20.13,-17.93,;20.9,-19.25,;22.44,-19.25,;23.2,-17.91,;24.74,-17.9,;22.42,-16.57,;20.88,-16.59,;15.37,-18.03,;13.9,-18.52,;12.56,-17.76,;11.23,-18.53,;11.23,-20.07,;9.9,-20.84,;8.56,-20.07,;8.56,-18.53,;7.24,-17.76,;5.9,-18.52,;5.9,-20.06,;7.23,-20.84,;4.56,-17.74,;3.79,-16.41,;5.33,-16.4,;3.23,-18.51,;12.56,-20.84,;13.9,-20.07,)|
Show InChI InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)/t24-,27+
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n/an/a<3n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50299148
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
Show InChI InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKB (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50193395
PNG
(Altiratinib | DCC-2701 | DP-5164)
Show SMILES Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1
Show InChI InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
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n/an/a 4.60n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKB (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50172078
PNG
(LY-2801653 | Merestinib)
Show SMILES Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)
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n/an/a 4.70n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of cMET (unknown origin) by FISH assay


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50467574
PNG
(MG-516 | MG-91516 | MGCD-516 | MGCD516 | Sitravati...)
Show SMILES COCCNCc1ccc(nc1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2s1
Show InChI InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)
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n/an/a 5n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50467574
PNG
(MG-516 | MG-91516 | MGCD-516 | MGCD516 | Sitravati...)
Show SMILES COCCNCc1ccc(nc1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2s1
Show InChI InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)
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n/an/a 5n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50467574
PNG
(MG-516 | MG-91516 | MGCD-516 | MGCD516 | Sitravati...)
Show SMILES COCCNCc1ccc(nc1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2s1
Show InChI InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)
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n/an/a 6n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of cKIT (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50299148
PNG
((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...)
Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
Show InChI InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50467574
PNG
(MG-516 | MG-91516 | MGCD-516 | MGCD516 | Sitravati...)
Show SMILES COCCNCc1ccc(nc1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2s1
Show InChI InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)
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n/an/a 8n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50193395
PNG
(Altiratinib | DCC-2701 | DP-5164)
Show SMILES Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1
Show InChI InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
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n/an/a 8n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50193395
PNG
(Altiratinib | DCC-2701 | DP-5164)
Show SMILES Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1
Show InChI InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
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n/an/a 8.30n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKC (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM374727
PNG
((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Show SMILES C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r|
Show InChI InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1
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n/an/a 8.40n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ROS1 G2032R mutant (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50467574
PNG
(MG-516 | MG-91516 | MGCD-516 | MGCD516 | Sitravati...)
Show SMILES COCCNCc1ccc(nc1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2s1
Show InChI InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)
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n/an/a 9n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKB (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50193395
PNG
(Altiratinib | DCC-2701 | DP-5164)
Show SMILES Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1
Show InChI InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
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n/an/a 9.20n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM136597
PNG
(US10005783, 14 | US10047097, 14 | US10774085, Exam...)
Show SMILES O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA G667C mutant (unknown origin) using poly-EAY peptide as substrate in presence of gamma-33ATP by LanthaScreen assay


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM32362
PNG
(5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]m...)
Show SMILES COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
Show InChI InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)
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n/an/a 60n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human CSF1R catalytic domain by ATP-based kinase assay


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM136597
PNG
(US10005783, 14 | US10047097, 14 | US10774085, Exam...)
Show SMILES O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1
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n/an/a 69n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA G595R mutant (unknown origin) using poly-EAY peptide as substrate in presence of gamma-33ATP by LanthaScreen assay


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50507493
PNG
(CHEMBL385872)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2CN(Cc12)C(=O)[C@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C25H28N6O3/c1-29-11-13-30(14-12-29)19-9-7-18(8-10-19)24(33)26-23-20-15-31(16-21(20)27-28-23)25(34)22(32)17-5-3-2-4-6-17/h2-10,22,32H,11-16H2,1H3,(H2,26,27,28,33)/t22-/m1/s1
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n/an/a 91n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ALK cytoplasmic domain (1060 to 1620 residues) expressed in sf9 cells using H-ARDIYRASFFRKGGCAMLPVK-CONH2 peptide as substrate af...


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50507490
PNG
(CHEMBL4468886)
Show SMILES Cc1ncc(NC(=O)NC2c3ccccc3-c3ccccc23)c(n1)-c1ccccc1
Show InChI InChI=1S/C25H20N4O/c1-16-26-15-22(23(27-16)17-9-3-2-4-10-17)28-25(30)29-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-15,24H,1H3,(H2,28,29,30)
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n/an/a 99n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM32362
PNG
(5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]m...)
Show SMILES COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
Show InChI InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)
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n/an/a 880n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin) by ATP site-dependent competition binding assay


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM373103
PNG
(1-(2-methyl-4- phenylpyrimidin-5- yl)-3-pyridin-2-...)
Show SMILES Cc1ncc(NC(=O)Nc2ccccn2)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H15N5O/c1-12-19-11-14(16(20-12)13-7-3-2-4-8-13)21-17(23)22-15-9-5-6-10-18-15/h2-11H,1H3,(H2,18,21,22,23)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKC (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50507491
PNG
(CHEMBL4469569)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H13F5N2O/c1-11-2-9-17(18(26-11)12-3-6-14(21)7-4-12)27-19(28)15-8-5-13(10-16(15)22)20(23,24)25/h2-10H,1H3,(H,27,28)
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM373103
PNG
(1-(2-methyl-4- phenylpyrimidin-5- yl)-3-pyridin-2-...)
Show SMILES Cc1ncc(NC(=O)Nc2ccccn2)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H15N5O/c1-12-19-11-14(16(20-12)13-7-3-2-4-8-13)21-17(23)22-15-9-5-6-10-18-15/h2-11H,1H3,(H2,18,21,22,23)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM373098
PNG
(1-(2-methyl-4- phenylpyrimidin-5- yl)-3-naphthalen...)
Show SMILES Cc1ncc(NC(=O)Nc2cccc3ccccc23)c(n1)-c1ccccc1
Show InChI InChI=1S/C22H18N4O/c1-15-23-14-20(21(24-15)17-9-3-2-4-10-17)26-22(27)25-19-13-7-11-16-8-5-6-12-18(16)19/h2-14H,1H3,(H2,25,26,27)
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM373098
PNG
(1-(2-methyl-4- phenylpyrimidin-5- yl)-3-naphthalen...)
Show SMILES Cc1ncc(NC(=O)Nc2cccc3ccccc23)c(n1)-c1ccccc1
Show InChI InChI=1S/C22H18N4O/c1-15-23-14-20(21(24-15)17-9-3-2-4-10-17)26-22(27)25-19-13-7-11-16-8-5-6-12-18(16)19/h2-14H,1H3,(H2,25,26,27)
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKC (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50507490
PNG
(CHEMBL4468886)
Show SMILES Cc1ncc(NC(=O)NC2c3ccccc3-c3ccccc23)c(n1)-c1ccccc1
Show InChI InChI=1S/C25H20N4O/c1-16-26-15-22(23(27-16)17-9-3-2-4-10-17)28-25(30)29-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-15,24H,1H3,(H2,28,29,30)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKC (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50507491
PNG
(CHEMBL4469569)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H13F5N2O/c1-11-2-9-17(18(26-11)12-3-6-14(21)7-4-12)27-19(28)15-8-5-13(10-16(15)22)20(23,24)25/h2-10H,1H3,(H,27,28)
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKB (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50507491
PNG
(CHEMBL4469569)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2F)C(F)(F)F)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H13F5N2O/c1-11-2-9-17(18(26-11)12-3-6-14(21)7-4-12)27-19(28)15-8-5-13(10-16(15)22)20(23,24)25/h2-10H,1H3,(H,27,28)
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n/an/a>8.10E+4n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKC (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50507490
PNG
(CHEMBL4468886)
Show SMILES Cc1ncc(NC(=O)NC2c3ccccc3-c3ccccc23)c(n1)-c1ccccc1
Show InChI InChI=1S/C25H20N4O/c1-16-26-15-22(23(27-16)17-9-3-2-4-10-17)28-25(30)29-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-15,24H,1H3,(H2,28,29,30)
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n/an/a>8.10E+4n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of TRKB (unknown origin)


J Med Chem 62: 1731-1760 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01092
BindingDB Entry DOI: 10.7270/Q29Z986G
More data for this
Ligand-Target Pair