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Compile Data Set for Download or QSAR

Found 5197 hits with Last Name = 'johnson' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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0.000600n/an/an/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibition constant for Aurora-A


J Med Chem 49: 955-70 (2006)


Article DOI: 10.1021/jm050786h
BindingDB Entry DOI: 10.7270/Q24J0FXV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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0.00460n/an/an/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibition constant for Aurora-C


J Med Chem 49: 955-70 (2006)


Article DOI: 10.1021/jm050786h
BindingDB Entry DOI: 10.7270/Q24J0FXV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299749
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OCC3(CC3)C#N)nc(n2)C(=O)NC23CC(C2)C3)c1
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0.0100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299975
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OCC3(CC3)C#N)nc(n2)C(=O)NC2(C)CCC2)c1
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0.0120n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299902
PNG
(6-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES C[C@H](CO)NC(=O)c1nc(OC[C@H]2CCCO2)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1 |r|
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0.0120n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300035
PNG
(2-(benzyloxy)-N- [(2R)-1- hydroxypropan-2- yl]-6-[...)
Show SMILES COc1ccnc2[nH]nc(C3CCN(CC3)c3cc(nc(OCc4ccccc4)n3)C(=O)N[C@H](C)CO)c12 |r|
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<0.0130n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300077
PNG
(N-(3-amino-3- methylbutan- 2-yl)-2- (cyclo- propyl...)
Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3cc(nc(OCC4CC4)n3)C(=O)NC(C)C(C)(C)N)c12
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<0.0130n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300079
PNG
(N-[(2R)-1- hydroxypropan-2- yl]-6-[4-(4- methoxy-1...)
Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3cc(nc(OC[C@H]4CCCO4)n3)C(=O)N[C@H](C)CO)c12 |r|
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<0.0130n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300011
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES C[C@H](NC(=O)c1nc(OCC2CC2)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1)C(F)(F)F |r|
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<0.0130n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300088
PNG
(N-[(2R)-1- hydroxypropan-2- yl]-2-[(2R)-2- methoxy...)
Show SMILES CO[C@H](C)COc1nc(cc(n1)C(=O)N[C@H](C)CO)N1CCC(CC1)c1c[nH]c2nccc(OC)c12 |r|
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0.0140n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299931
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES CC(C)NC(=O)c1nc(OC[C@H]2CC2(F)F)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1 |r|
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0.0150n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299998
PNG
(N-[(2R)-1- hydroxypropan-2- yl]-6-[4-(4- methoxy-1...)
Show SMILES COc1ccnc2[nH]nc(C3CCN(CC3)c3cc(nc(OC[C@H]4CCCO4)n3)C(=O)N[C@H](C)CO)c12 |r|
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0.0150n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300012
PNG
(N-(2- methoxyethyl)-6- [4-(4-methoxy-1H- pyrrolo[2...)
Show SMILES COCCNC(=O)c1cc(nc(OC[C@H]2CCCO2)n1)N1CCC(CC1)c1c[nH]c2nccc(OC)c12 |r|
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0.0160n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299909
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES C[C@H](NC(=O)c1nc(OC[C@H]2CCCO2)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1)C(F)(F)F |r|
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0.0160n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299744
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OCC3(CC3)C#N)nc(n2)C(=O)NC2CCC2)c1
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0.0160n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300007
PNG
(2-[(1- cyanocyclopropyl) methoxy]-N-[(2R)- 1-hydro...)
Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3cc(nc(OCC4(CC4)C#N)n3)C(=O)N[C@H](C)CO)c12 |r|
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<0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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0.0180n/an/an/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibition constant for Aurora-B


J Med Chem 49: 955-70 (2006)


Article DOI: 10.1021/jm050786h
BindingDB Entry DOI: 10.7270/Q24J0FXV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300049
PNG
((3,3- difluoroazetidin-1- yl)(2-{[(2R)-1- methoxyp...)
Show SMILES COC[C@@H](C)Oc1nc(cc(n1)C(=O)N1CC(F)(F)C1)N1CCC(CC1)c1c[nH]c2nccc(OC)c12 |r|
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0.0180n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299893
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES C[C@@H](NC(=O)c1nc(OCC2(CC2)C#N)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1)C1CC1 |r|
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0.0190n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50018830
PNG
(CHEMBL3286830)
Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N |r|
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
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<0.0200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) by off-chip mobility shift assay


J Med Chem 57: 4720-44 (2014)


Article DOI: 10.1021/jm500261q
BindingDB Entry DOI: 10.7270/Q2K35W68
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50018836
PNG
(CHEMBL3286826)
Show SMILES COc1nn(C)c2CN(C)C(=O)c3ccc(F)cc3[C@@H](C)Oc3nc(cnc3N)-c12 |r|
Show InChI InChI=1S/C20H21FN6O3/c1-10-13-7-11(21)5-6-12(13)20(28)26(2)9-15-16(18(29-4)25-27(15)3)14-8-23-17(22)19(24-14)30-10/h5-8,10H,9H2,1-4H3,(H2,22,23)/t10-/m1/s1
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<0.0200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALK L1196M mutant kinase domain (amino acids 1093 to 1141) expressed in baculovirus system using 5'FAM-KKSRGDYMTMQIG-...


J Med Chem 57: 4720-44 (2014)


Article DOI: 10.1021/jm500261q
BindingDB Entry DOI: 10.7270/Q2K35W68
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300090
PNG
(N-[(2R)-1- hydroxypropan-2- yl]-2-[(2S)-2- methoxy...)
Show SMILES CO[C@@H](C)COc1nc(cc(n1)C(=O)N[C@H](C)CO)N1CCC(CC1)c1c[nH]c2nccc(OC)c12 |r|
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0.0200n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300070
PNG
(N-[(2R)-3- hydroxy-3- methylbutan-2-yl]- 4-[4-(4-m...)
Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3nc(OC[C@H]4CCCO4)nc(n3)C(=O)N[C@H](C)C(C)(C)O)c12 |r|
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0.0200n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299917
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OCC3(CC3)C#N)nc(n2)C(=O)NC(C)(C)C)c1
PDB

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0.0200n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1
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0.0200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) by Pfizer mobility shift assay


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300125
PNG
(N-cyclobutyl-4- {[(2R)-1- methoxypropan-2- yl]oxy}...)
Show SMILES COC[C@@H](C)Oc1nc(nc(n1)C(=O)NC1CCC1)N1CCC(CC1)c1n[nH]c2nccc(OC)c12 |r|
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0.0210n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299996
PNG
(4-[(1- cyanocyclopropyl) methoxy]-6-[4-(4- methoxy...)
Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3nc(OCC4(CC4)C#N)nc(n3)C(=O)N[C@@H](C)C(F)(F)F)c12 |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299901
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OC[C@H]3C[C@H]3C#N)nc(n2)C(=O)NC(C)(C)C)c1 |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300104
PNG
(4-(benzyloxy)-N- [(2R)-1- hydroxypropan-2- yl]-6-[...)
Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3nc(OCc4ccccc4)nc(n3)C(=O)N[C@H](C)CO)c12 |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299891
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES CC[C@@H](C)NC(=O)c1nc(OCC2(CC2)C#N)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1 |r|
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0.0260n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300064
PNG
(N-[(2R)-1- hydroxypropan-2- yl]-4-{[(2R)-1- methox...)
Show SMILES COC[C@@H](C)Oc1nc(nc(n1)C(=O)N[C@H](C)CO)N1CCC(CC1)c1c[nH]c2nccc(OC)c12 |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299746
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OC[C@H]3C[C@H]3C#N)nc(n2)C(=O)NC23CC(C2)C3)c1 |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299890
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OCC3(CC3)C#N)nc(n2)C(=O)NCC(C)(C)C)c1
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299930
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES C[C@H](CO)NC(=O)c1nc(OC[C@H]2CC2(F)F)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1 |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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0.0300n/an/an/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibition constant for FLT-3


J Med Chem 49: 955-70 (2006)


Article DOI: 10.1021/jm050786h
BindingDB Entry DOI: 10.7270/Q24J0FXV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300071
PNG
(N-[(2R)-1- hydroxypropan-2- yl]-4-[4-(4- methoxy-1...)
Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3nc(OC[C@H]4CCCO4)nc(n3)C(=O)N[C@H](C)CO)c12 |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299803
PNG
(N- (bicyclo[1.1.1]pent- 1-yl)-4-{[(1S,2R)- 2- cyan...)
Show SMILES COc1ccnc2[nH]nc(C3CCN(CC3)c3nc(OC[C@H]4C[C@H]4C#N)nc(n3)C(=O)NC34CC(C3)C4)c12 |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300103
PNG
(4-[(1- cyanocyclopropyl) methoxy]-N-[(2R)- 1-hydro...)
Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3nc(OCC4(CC4)C#N)nc(n3)C(=O)N[C@H](C)CO)c12 |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299852
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OCC3(CC3)C#N)nc(n2)C(=O)NCC2CC2)c1
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0.0320n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300099
PNG
(4-{[(1S,2R)-2- cyanocyclopropyl] methoxy}-N-[(2R)-...)
Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3nc(OC[C@H]4C[C@H]4C#N)nc(n3)C(=O)N[C@H](C)C(C)(C)O)c12 |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299922
PNG
(6-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES C[C@H](CO)NC(=O)c1cc(nc(OC[C@@H]2CC2(F)F)n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1 |r|
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0.0330n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300056
PNG
(N-(3-amino-3- methylbutan-2-yl)- 2-{[(2R)-1- metho...)
Show SMILES COC[C@@H](C)Oc1nc(cc(n1)C(=O)NC(C)C(C)(C)N)N1CCC(CC1)c1c[nH]c2nccc(OC)c12 |r|
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0.0340n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300087
PNG
(N-[(1R,2R)-2- hydroxy- cyclobutyl]- 6-[4-(4-methox...)
Show SMILES COc1ccnc2[nH]nc(C3CCN(CC3)c3cc(nc(OC[C@H]4CCCO4)n3)C(=O)N[C@@H]3CC[C@H]3O)c12 |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299911
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES C[C@@H](NC(=O)c1nc(OC[C@H]2CCCO2)nc(n1)N1CCC(COc2cc(cnc2N)-c2cn(C)cn2)CC1)C(C)(C)O |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300098
PNG
(4-{[(1S,2R)-2- cyanocyclopropyl] methoxy}-N-[(2R)-...)
Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3nc(OC[C@H]4C[C@H]4C#N)nc(n3)C(=O)N[C@H](C)CO)c12 |r|
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0.0350n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300101
PNG
(4-(benzyloxy)-N- [(2R)-1- hydroxypropan-2- yl]-6-[...)
Show SMILES COc1ccnc2[nH]nc(C3CCN(CC3)c3nc(OCc4ccccc4)nc(n3)C(=O)N[C@H](C)CO)c12 |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300102
PNG
(4-[(1- cyanocyclopropyl) methoxy]-N-[(2R)- 3-hydro...)
Show SMILES COc1ccnc2[nH]cc(C3CCN(CC3)c3nc(OCC4(CC4)C#N)nc(n3)C(=O)N[C@H](C)C(C)(C)O)c12 |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM300063
PNG
(N-[(2R)-3- hydroxy-3- methylbutan-2-yl]- 4-{[(2R)-...)
Show SMILES COC[C@@H](C)Oc1nc(nc(n1)C(=O)N[C@H](C)C(C)(C)O)N1CCC(CC1)c1c[nH]c2nccc(OC)c12 |r|
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM299849
PNG
(4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...)
Show SMILES Cn1cnc(c1)-c1cnc(N)c(OCC2CCN(CC2)c2nc(OCC3(CC3)C#N)nc(n2)C(=O)NCC(F)(F)F)c1
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Pfizer Inc.

US Patent




US Patent US9593097 (2017)


BindingDB Entry DOI: 10.7270/Q2GM89BD
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM50379543
PNG
(CHEMBL2012752)
Show SMILES CC[C@@H](NCCCC[C@@H](Cc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H32F2N2O2/c1-4-22(19-8-10-21(25)11-9-19)27-12-6-5-7-20(24(29)28-30)15-18-13-16(2)23(26)17(3)14-18/h8-11,13-14,20,22,27,30H,4-7,12,15H2,1-3H3,(H,28,29)/t20-,22+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



PanThera Biopharma, LLC

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6-histine tagged Bacillus anthracis LF 263-C terminal catalytic domain using MCA-KKVYPYPME-Dap(Dnp)-NH2 as substrate after 4...


Bioorg Med Chem Lett 22: 2242-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.095
BindingDB Entry DOI: 10.7270/Q2MC912Q
More data for this
Ligand-Target Pair
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