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Compile Data Set for Download or QSAR

Found 11663 hits with Last Name = 'walls' and Initial = 's'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364234
PNG
(CHEMBL1952279)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50296485
PNG
((R)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)
Show SMILES Clc1ccc(cc1)[C@@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r|
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m1/s1
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7n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364235
PNG
(CHEMBL1952280)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@@H](c1ccc(Cl)cc1)c1cccnc1Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m0/s1
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249n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364234
PNG
(CHEMBL1952279)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@H](c1ccc(Cl)cc1)c1cccnc1Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m1/s1
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490n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50296484
PNG
((S)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)
Show SMILES Clc1ccc(cc1)[C@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r|
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m0/s1
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560n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
BindingDB Entry DOI: 10.7270/Q28S4PZC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364235
PNG
(CHEMBL1952280)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(C1)O[C@@H](c1ccc(Cl)cc1)c1cccnc1Cl |r|
Show InChI InChI=1S/C24H23Cl2N3O2/c1-28(14-17-6-3-2-4-7-17)24(30)29-15-20(16-29)31-22(18-9-11-19(25)12-10-18)21-8-5-13-27-23(21)26/h2-13,20,22H,14-16H2,1H3/t22-/m0/s1
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4.02E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50296484
PNG
((S)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)
Show SMILES Clc1ccc(cc1)[C@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r|
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m0/s1
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7.19E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
BindingDB Entry DOI: 10.7270/Q28S4PZC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50296485
PNG
((R)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)
Show SMILES Clc1ccc(cc1)[C@@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r|
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m1/s1
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1.09E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 19: 4241-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.097
BindingDB Entry DOI: 10.7270/Q28S4PZC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50296485
PNG
((R)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)met...)
Show SMILES Clc1ccc(cc1)[C@@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r|
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m1/s1
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1.09E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 22: 901-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.032
BindingDB Entry DOI: 10.7270/Q2D79BVH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [G810S]


(Homo sapiens (Human))
BDBM576988
PNG
(US11472802, Example 8)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncc(Cl)c12
PDB
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n/an/a 0n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM576988
PNG
(US11472802, Example 8)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncc(Cl)c12
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n/an/a 0.0170n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM576988
PNG
(US11472802, Example 8)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncc(Cl)c12
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n/an/a 0.0170n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM576988
PNG
(US11472802, Example 8)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncc(Cl)c12
PDB
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n/an/a 0.0170n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577053
PNG
(US11472802, Example 58)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2c[nH]cn2)c2c(N)nccc12
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n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [G810R]


(Homo sapiens (Human))
BDBM576988
PNG
(US11472802, Example 8)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncc(Cl)c12
PDB

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n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577053
PNG
(US11472802, Example 58)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2c[nH]cn2)c2c(N)nccc12
PDB
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577063
PNG
(1-(3-(4-amino-7-chloro-1- isopropyl-1H-pyrazolo[4,...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2N2CCN(C)C2=O)c2c(N)ncc(Cl)c12
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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577046
PNG
(7-chloro-3-(5-cyclopropyl- 4-(1H-pyrazol-3- yl)iso...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cc[nH]n2)c2c(N)ncc(Cl)c12
PDB

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PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577050
PNG
(7-chloro-3-(5- cyclopropyl-4-(1H- imidazol-4- yl)i...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2c[nH]cn2)c2c(N)ncc(Cl)c12
PDB

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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577049
PNG
(US11472802, Example 55)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cn(C)cn2)c2c(N)ncc(Cl)c12
PDB

UniProtKB/SwissProt

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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577049
PNG
(US11472802, Example 55)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cn(C)cn2)c2c(N)ncc(Cl)c12
PDB
MMDB

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PC cid
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US Patent
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577046
PNG
(7-chloro-3-(5-cyclopropyl- 4-(1H-pyrazol-3- yl)iso...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cc[nH]n2)c2c(N)ncc(Cl)c12
PDB
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM577049
PNG
(US11472802, Example 55)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cn(C)cn2)c2c(N)ncc(Cl)c12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577063
PNG
(1-(3-(4-amino-7-chloro-1- isopropyl-1H-pyrazolo[4,...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2N2CCN(C)C2=O)c2c(N)ncc(Cl)c12
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577061
PNG
(US11472802, Example 65)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2N2CCC2=O)c2c(N)ncc(Cl)c12
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577061
PNG
(US11472802, Example 65)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2N2CCC2=O)c2c(N)ncc(Cl)c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM576996
PNG
(US11472802, Example 11)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncc(F)c12
PDB
MMDB

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TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577026
PNG
(7-chloro-3-(5-cyclopropyl-4-(4- methylpyridin-2-yl...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cc(C)ccn2)c2c(N)ncc(Cl)c12
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577025
PNG
(7-chloro-3-(5-cyclopropyl-4- (pyrazin-2-yl)isoxazo...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cnccn2)c2c(N)ncc(Cl)c12
PDB

UniProtKB/SwissProt

GoogleScholar
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577045
PNG
(US11472802, Example 51)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cc(C)[nH]n2)c2c(N)ncc(Cl)c12
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
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n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577066
PNG
(3-(5-cyclopropyl- 4-(1H-pyrazol-3- yl)isoxazol-3- ...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cc[nH]n2)c2c(N)ncc(F)c12
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577064
PNG
(US11472802, Example 68)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cn(C)cn2)c2c(N)ncc(F)c12
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
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n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577064
PNG
(US11472802, Example 68)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cn(C)cn2)c2c(N)ncc(F)c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577050
PNG
(7-chloro-3-(5- cyclopropyl-4-(1H- imidazol-4- yl)i...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2c[nH]cn2)c2c(N)ncc(Cl)c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM576996
PNG
(US11472802, Example 11)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncc(F)c12
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577067
PNG
(3-(5-cyclopropyl- 4-(5-methyl-1H- pyrazol-3-yl) is...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cc(C)[nH]n2)c2c(N)ncc(F)c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577066
PNG
(3-(5-cyclopropyl- 4-(1H-pyrazol-3- yl)isoxazol-3- ...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cc[nH]n2)c2c(N)ncc(F)c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM576996
PNG
(US11472802, Example 11)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccccn2)c2c(N)ncc(F)c12
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
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UniChem
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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM577063
PNG
(1-(3-(4-amino-7-chloro-1- isopropyl-1H-pyrazolo[4,...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2N2CCN(C)C2=O)c2c(N)ncc(Cl)c12
PDB

UniProtKB/SwissProt

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577062
PNG
(1-(3-(4-amino-7-chloro-1- isopropyl-1H-pyrazolo[4,...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2N2CCCC2=O)c2c(N)ncc(Cl)c12
PDB

UniProtKB/SwissProt

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UniChem
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n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577045
PNG
(US11472802, Example 51)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cc(C)[nH]n2)c2c(N)ncc(Cl)c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577029
PNG
(7-chloro-3-(5-cyclopropyl-4-(5- methylpyridin-2-yl...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccc(C)cn2)c2c(N)ncc(Cl)c12
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577025
PNG
(7-chloro-3-(5-cyclopropyl-4- (pyrazin-2-yl)isoxazo...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cnccn2)c2c(N)ncc(Cl)c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577026
PNG
(7-chloro-3-(5-cyclopropyl-4-(4- methylpyridin-2-yl...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cc(C)ccn2)c2c(N)ncc(Cl)c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577048
PNG
(7-chloro-3-(5-cyclopropyl- 4-(1-ethyl-1H-pyrazol-3...)
Show SMILES CCn1ccc(n1)-c1c(noc1C1CC1)-c1nn(C(C)C)c2c(Cl)cnc(N)c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577047
PNG
(7-chloro-3-(5-cyclopropyl- 4-(1-methyl-1H-pyrazol-...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccn(C)n2)c2c(N)ncc(Cl)c12
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
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n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM577064
PNG
(US11472802, Example 68)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cn(C)cn2)c2c(N)ncc(F)c12
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM577067
PNG
(3-(5-cyclopropyl- 4-(5-methyl-1H- pyrazol-3-yl) is...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2cc(C)[nH]n2)c2c(N)ncc(F)c12
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577029
PNG
(7-chloro-3-(5-cyclopropyl-4-(5- methylpyridin-2-yl...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2-c2ccc(C)cn2)c2c(N)ncc(Cl)c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM577062
PNG
(1-(3-(4-amino-7-chloro-1- isopropyl-1H-pyrazolo[4,...)
Show SMILES CC(C)n1nc(-c2noc(C3CC3)c2N2CCCC2=O)c2c(N)ncc(Cl)c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio's H...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22N55HG
More data for this
Ligand-Target Pair
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