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Compile Data Set for Download or QSAR

Found 830 hits with Last Name = 'romero' and Initial = 'dl'   
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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50040805
PNG
(CHEMBL3361255)
Show SMILES NC(=O)[C@@H](O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c3c12 |r,wU:20.23,wD:17.16,6.5,3.3,(47.71,-11.7,;46.68,-10.55,;45.18,-10.87,;47.17,-9.09,;48.67,-8.78,;46.14,-7.95,;46.62,-6.48,;48.09,-6.01,;48.1,-4.47,;46.63,-3.99,;45.72,-2.74,;44.25,-3.22,;42.92,-2.45,;41.59,-3.22,;41.59,-4.77,;42.92,-5.54,;42.92,-7.07,;41.59,-7.84,;40.25,-7.07,;38.92,-7.84,;38.92,-9.37,;40.25,-10.15,;41.59,-9.38,;37.58,-10.14,;36.25,-9.35,;34.92,-10.11,;34.91,-11.65,;36.23,-12.43,;37.58,-11.66,;44.25,-4.77,;45.72,-5.23,)|
Show InChI InChI=1/C22H30N4O4S/c23-20(28)16(27)11-13-1-6-17-18(13)19-21(24-12-25-22(19)31-17)30-15-4-2-14(3-5-15)26-7-9-29-10-8-26/h12-16,27H,1-11H2,(H2,23,28)/t13-,14-,15-,16+/s2
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1n/an/an/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids) assessed as reduction in phosphorylated substrates by Caliper assay


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50040726
PNG
(CHEMBL1236126)
Show SMILES CC(C)(C)C(=O)Oc1ccc2n(CCCO)c(NC(=O)c3cccc(c3)[N+]([O-])=O)nc2c1
Show InChI InChI=1S/C22H24N4O6/c1-22(2,3)20(29)32-16-8-9-18-17(13-16)23-21(25(18)10-5-11-27)24-19(28)14-6-4-7-15(12-14)26(30)31/h4,6-9,12-13,27H,5,10-11H2,1-3H3,(H,23,24,28)
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1.20n/an/an/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50040806
PNG
(CHEMBL3361254)
Show SMILES NC(=O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c3c12 |r,wU:18.21,wD:15.14,4.3,(33.74,-8.14,;32.23,-8.45,;31.75,-9.91,;31.21,-7.3,;31.69,-5.84,;33.16,-5.37,;33.17,-3.83,;31.7,-3.35,;30.79,-2.1,;29.32,-2.58,;27.99,-1.82,;26.66,-2.58,;26.66,-4.13,;27.99,-4.9,;27.99,-6.43,;26.66,-7.2,;25.33,-6.43,;24,-7.19,;23.99,-8.73,;25.32,-9.5,;26.66,-8.74,;22.66,-9.49,;21.33,-8.71,;20,-9.47,;19.98,-11,;21.31,-11.78,;22.65,-11.02,;29.32,-4.13,;30.79,-4.59,)|
Show InChI InChI=1/C21H28N4O3S/c22-17(26)11-13-1-6-16-18(13)19-20(23-12-24-21(19)29-16)28-15-4-2-14(3-5-15)25-7-9-27-10-8-25/h12-15H,1-11H2,(H2,22,26)/t13-,14-,15-/s2
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7.5n/an/an/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids) assessed as reduction in phosphorylated substrates by Caliper assay


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332767
PNG
(US10196390, Compound I-3)
Show SMILES CCOC(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332768
PNG
(US10196390, Compound I-4)
Show SMILES CCOC(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2Cl)cc1
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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332769
PNG
(US10196390, Compound I-5)
Show SMILES CCOC(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(Cl)cccc2Cl)cc1
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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332770
PNG
(US10196390, Compound I-6)
Show SMILES Clc1cccc(Cl)c1-c1nc2CNC(=O)c2c(Nc2ccc(COC=O)cc2)n1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332773
PNG
(US10196390, Compound I-9)
Show SMILES OC(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(Cl)cc(cc2Cl)C#N)cc1
PDB

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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332774
PNG
(US10196390, Compound I-10)
Show SMILES OC(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2Cl)cc1
PDB

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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332775
PNG
(US10196390, Compound I-11)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)NC3CCNCC3)cc2)n1
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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332776
PNG
(US10196390, Compound I-12)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)NC3CNC3)cc2)n1
PDB

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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332777
PNG
(US10196390, Compound I-13)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)NCC3CCNCC3)cc2)n1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332778
PNG
(US10196390, Compound I-14)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)NC3CC4(CNC4)C3)cc2)n1
PDB

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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332779
PNG
(US10196390, Compound I-15)
Show SMILES OC[C@H]1CCCN1C(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 |r|
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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332780
PNG
(US10196390, Compound I-16)
Show SMILES OC[C@@H]1CCCN1C(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 |r|
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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332785
PNG
(US10196390, Compound I-21)
Show SMILES Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
PDB

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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332786
PNG
(US10196390, Compound I-22)
Show SMILES CN(C1CCNCC1)C(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
PDB

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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332788
PNG
(US10196390, Compound I-61)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)N[C@@H]3CCCNC3)cc2)n1 |r|
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332789
PNG
(US10196390, Compound I-62)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)N3CC4(COC4)C3)cc2)n1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332790
PNG
(US10196390, Compound I-63)
Show SMILES C[C@H](CO)NC(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 |r|
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332791
PNG
(US10196390, Compound I-64)
Show SMILES C[C@H]1COCCN1C(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 |r|
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332792
PNG
(US10196390, Compound I-65)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)NC3CCOCC3)cc2)n1
PDB

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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332793
PNG
(US10196390, Compound I-66)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)N3CCOCC3)cc2)n1
PDB

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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332794
PNG
(US10196390, Compound I-67)
Show SMILES CN1CCN(CC1)C(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
PDB

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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332799
PNG
(US10196390, Compound I-72)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)NCC3CNC3)cc2)n1
PDB

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Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332800
PNG
(US10196390, Compound I-73 | US10196390, Compound I...)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)N[C@@H]3CCNC3)cc2)n1 |r|
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332801
PNG
(US10196390, Compound I-74)
Show SMILES C[C@@H](CO)NC(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 |r|
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332802
PNG
(US10196390, Compound I-75)
Show SMILES C[C@H](O)CNC(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 |r|
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332803
PNG
(US10196390, Compound I-76)
Show SMILES CC(C)(O)CNC(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332804
PNG
(US10196390, Compound I-77)
Show SMILES C[C@@H](O)CNC(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 |r|
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332805
PNG
(US10196390, Compound I-78)
Show SMILES FC(F)CN1CCN(CC1)C(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332806
PNG
(US10196390, Compound I-79)
Show SMILES OCCNC(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332807
PNG
(US10196390, Compound I-80)
Show SMILES CCNC(=O)Cc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332800
PNG
(US10196390, Compound I-73 | US10196390, Compound I...)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)N[C@@H]3CCNC3)cc2)n1 |r|
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332812
PNG
(US10196390, Compound I-84)
Show SMILES Fc1cccc(F)c1-c1nc2CNC(=O)c2c(Nc2ccc(CC(=O)N3CCS(=O)(=O)CC3)cc2)n1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332875
PNG
(US10196390, Compound I-164)
Show SMILES OCCNC(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332876
PNG
(US10196390, Compound I-165)
Show SMILES CC(C)(C)NC(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332878
PNG
(US10196390, Compound I-167)
Show SMILES COc1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332879
PNG
(US10196390, Compound I-168)
Show SMILES OC1CN(C1)C(=O)c1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332881
PNG
(US10196390, Compound I-170)
Show SMILES COc1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)nc1OC
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332882
PNG
(US10196390, Compound I-171)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCOCC2)c2C(=O)NCc2n1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332883
PNG
(US10196390, Compound I-172)
Show SMILES CC1(NC(=O)NC1=O)c1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332884
PNG
(US10196390, Compound I-173)
Show SMILES C[C@]1(NC(=O)NC1=O)c1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 |r|
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332885
PNG
(US10196390, Compound I-174)
Show SMILES C[C@@]1(NC(=O)NC1=O)c1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 |r|
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332886
PNG
(US10196390, Compound I-175)
Show SMILES CCC1(CCNC1=O)c1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332887
PNG
(US10196390, Compound I-176)
Show SMILES CC[C@]1(CCNC1=O)c1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 |r|
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332888
PNG
(US10196390, Compound I-177)
Show SMILES CC[C@@]1(CCNC1=O)c1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 |r|
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332889
PNG
(US10196390, Compound I-178)
Show SMILES CCOC(=O)C(C)(C)c1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332892
PNG
(US10196390, Compound I-181)
Show SMILES CC(C)Oc1ccc(Nc2nc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332893
PNG
(US10196390, Compound I-182)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCC(F)(F)CC2)c2C(=O)NCc2n1
PDB

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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
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