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Compile Data Set for Download or QSAR

Found 1570 hits with Last Name = 'castanedo' and Initial = 'g'   
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
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM158752
PNG
(US9034866, 227)
Show SMILES CN1CCC(O)(C#Cc2ccc3OCCc4sc(nc4-c3c2)C(N)=O)C1=O
Show InChI InChI=1/C19H17N3O4S/c1-22-8-7-19(25,18(22)24)6-4-11-2-3-13-12(10-11)15-14(5-9-26-13)27-17(21-15)16(20)23/h2-3,10,25H,5,7-9H2,1H3,(H2,20,23)
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0.0400n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5'-triphosphate (ATP) was monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312864
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES COc1ccc2c(nn(-c3cccc(c3)C#C[C@]3(O)CCN(C)C3=O)c2n1)C(N)=O |r|
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0.0500n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312885
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3ccc(C)nc23)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312724
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES COc1ccc2n(nc(C(N)=O)c2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|
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0.0500n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312899
PNG
(6-fluoro-1-[3-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3ccc(F)cc23)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312904
PNG
((5R)-1-[3-[2-[(3R)-3-hydroxy- 1-methyl-2-oxo-pyrro...)
Show SMILES C[C@@H]1Cc2c(C1)n(nc2C(N)=O)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312905
PNG
(5-amino-2-[3-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-p...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)c(N)s2)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312906
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CNc1nc2n(nc(C(N)=O)c2s1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312760
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CNc1nccc2n(nc(C(N)=O)c12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312776
PNG
(1-[4-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES COc1ccc2n(nc(C(N)=O)c2c1)-c1cc(ccn1)C#C[C@]1(O)CCN(C)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312785
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES COc1cnc2n(nc(C(N)=O)c2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312787
PNG
(6-chloro-1-[3-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cnc(Cl)cc23)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312788
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3ccccc23)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312796
PNG
(8-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3cccnc23)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312801
PNG
(7-cyano-1-[3-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-p...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3ccc(cc23)C#N)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312805
PNG
(7-chloro-1-[3-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3ccc(Cl)cc23)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312806
PNG
(1,7-bis[3-[2-[(3R)-3-hydroxy- 1-methyl-2-oxo-pyrro...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3ccc(cc23)-c2cccc(c2)C#C[C@]2(O)CCN(C)C2=O)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312808
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES COc1ccn2c(nc(-c3cccc(c3)C#C[C@]3(O)CCN(C)C3=O)c2c1)C(N)=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312809
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES COc1ccc2c(nc(C(N)=O)n2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312816
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cc(ccc23)-n2cnc(C)c2)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312839
PNG
(4-(ethylamino)-1-[3-[2-[(3R)- 3-hydroxy-1-methyl-2...)
Show SMILES CCNc1nccc2n(nc(C(N)=O)c12)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312850
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES COc1cc2n(nc(C(N)=O)c2cn1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312907
PNG
(2-[2-fluoro-5-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-...)
Show SMILES CN1CC[C@@](O)(C#Cc2ccc(F)c(c2)-c2nc(C(N)=O)c(C)s2)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM158801
PNG
(US9034866, 276)
Show SMILES CN1CC[C@@](O)(C#Cc2ccc3OCCc4sc(nc4-c3c2)C(N)=O)C1=O |r|
Show InChI InChI=1/C19H17N3O4S/c1-22-8-7-19(25,18(22)24)6-4-11-2-3-13-12(10-11)15-14(5-9-26-13)27-17(21-15)16(20)23/h2-3,10,25H,5,7-9H2,1H3,(H2,20,23)/t19-/s2
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0.0550n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5'-triphosphate (ATP) was monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312812
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)C2N=C(C(N)=O)c3cc(ccc23)-c2ccn(C)n2)C1=O |r,t:16|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312804
PNG
(6-chloro-1-[3-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3cc(Cl)ccc23)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312813
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cc(ccc23)-c2ccn(C)n2)C1=O |r|
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Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312711
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3ccccc23)C1=O |r|
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0.0700n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312823
PNG
(5-[1-(2-hydroxyethyl)pyrazol- 4-yl]-1-[3-[2-[(3R)-...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cc(ccc23)-c2cnn(CCO)c2)C1=O |r|
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0.0700n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312764
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cccnc23)C1=O |r|
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0.0800n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312822
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CNC(=O)c1ccc2n(nc(C(N)=O)c2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|
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0.0800n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312765
PNG
(5-fluoro-1-[4-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-...)
Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3cc(F)ccc23)C1=O |r|
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0.0800n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312866
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3ccc(nc23)-c2cnn(C)c2)C1=O |r|
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0.0900n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312763
PNG
(1-[4-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3ccccc23)C1=O |r|
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0.0980n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312888
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3ccc(cc23)C(N)=O)C1=O |r|
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0.100n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312891
PNG
(1-[3-[(3R)-3-hydroxy-3-(5- methyl-1,3,4-oxadiazol-...)
Show SMILES COc1ccn2c(nc(-c3cccc(c3)C#C[C@@](C)(O)c3nnc(C)o3)c2c1)C(N)=O |r|
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0.100n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312896
PNG
(6-chloro-1-[2-fluoro-5-[2-[(3R)- 3-hydroxy-1-methy...)
Show SMILES CN1CC[C@@](O)(C#Cc2ccc(F)c(c2)-c2nc(C(N)=O)n3cc(Cl)ccc23)C1=O |r|
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0.100n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312903
PNG
((5S)-1-[3-[2-[(3R)-3-hydroxy- 1-methyl-2-oxo-pyrro...)
Show SMILES C[C@H]1Cc2c(C1)n(nc2C(N)=O)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O |r|
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0.100n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312774
PNG
(6-fluoro-1-[4-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-...)
Show SMILES CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3ccc(F)cc23)C1=O |r|
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0.100n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM159087
PNG
(US9034866, 562)
Show SMILES C[C@@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCNC1=O |r|
Show InChI InChI=1/C19H17N3O4S/c1-10-9-26-13-3-2-11(4-5-19(25)6-7-21-18(19)24)8-12(13)14-15(10)27-17(22-14)16(20)23/h2-3,8,10,25H,6-7,9H2,1H3,(H2,20,23)(H,21,24)/t10-,19+/s2
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0.100n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5'-triphosphate (ATP) was monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM158883
PNG
(US9034866, 358)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3[C@H](O)c3ccnn3C)-c2c1 |r,wU:6.7,27.30,wD:6.8,(2.74,4.12,;4.07,3.35,;4.55,1.89,;6.09,1.89,;6.56,3.35,;5.32,4.26,;6.86,.55,;7.63,1.89,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;2.86,-3.3,;1.52,-4.07,;.19,-3.3,;-1.01,-4.26,;-2.52,-3.91,;-3.18,-2.53,;-1.63,-2.82,;-2.52,-1.14,;-1.01,-.8,;-.88,.74,;-2.29,1.34,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,;-3.31,.18,;-4.79,.58,;-5.19,2.07,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;.19,-1.76,;1.52,-.99,)|
Show InChI InChI=1/C27H26N6O4/c1-14-10-21(31-37-14)27(2,36)8-6-15-4-5-18-16-12-17(13-16)33-23(24(34)20-7-9-29-32(20)3)22(25(28)35)30-26(33)19(18)11-15/h4-5,7,9-11,16-17,24,34,36H,12-13H2,1-3H3,(H2,28,35)/t16?,17?,24-,27-/s2
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0.100n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5'-triphosphate (ATP) was monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM158884
PNG
(US9034866, 359)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3[C@@H](O)c3ccnn3C)-c2c1 |r,wU:6.7,wD:6.8,27.30,(2.74,4.12,;4.07,3.35,;4.55,1.89,;6.09,1.89,;6.56,3.35,;5.32,4.26,;6.86,.55,;7.63,1.89,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;2.86,-3.3,;1.52,-4.07,;.19,-3.3,;-1.01,-4.26,;-2.52,-3.91,;-3.18,-2.53,;-1.63,-2.82,;-2.52,-1.14,;-1.01,-.8,;-.88,.74,;-2.29,1.34,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,;-3.31,.18,;-4.79,.58,;-5.19,2.07,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;.19,-1.76,;1.52,-.99,)|
Show InChI InChI=1/C27H26N6O4/c1-14-10-21(31-37-14)27(2,36)8-6-15-4-5-18-16-12-17(13-16)33-23(24(34)20-7-9-29-32(20)3)22(25(28)35)30-26(33)19(18)11-15/h4-5,7,9-11,16-17,24,34,36H,12-13H2,1-3H3,(H2,28,35)/t16?,17?,24-,27+/s2
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0.100n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5'-triphosphate (ATP) was monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM158931
PNG
(US9034866, 406)
Show SMILES CN1CC[C@@](O)(C#Cc2ccc3OCC(F)(F)c4sc(nc4-c3c2)C(N)=O)C1=O |r|
Show InChI InChI=1/C19H15F2N3O4S/c1-24-7-6-18(27,17(24)26)5-4-10-2-3-12-11(8-10)13-14(19(20,21)9-28-12)29-16(23-13)15(22)25/h2-3,8,27H,6-7,9H2,1H3,(H2,22,25)/t18-/s2
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<0.100n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5'-triphosphate (ATP) was monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM159077
PNG
(US9034866, 552)
Show SMILES C[C@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCNC1=O |r|
Show InChI InChI=1/C19H17N3O4S/c1-10-9-26-13-3-2-11(4-5-19(25)6-7-21-18(19)24)8-12(13)14-15(10)27-17(22-14)16(20)23/h2-3,8,10,25H,6-7,9H2,1H3,(H2,20,23)(H,21,24)/t10-,19-/s2
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0.100n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5'-triphosphate (ATP) was monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312814
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cc(cnc23)-c2cnn(C)c2)C1=O |r|
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0.100n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312840
PNG
(4-(cyclopropylamino)-1-[3- [2-[(3R)-3-hydroxy-1-me...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3c(NC4CC4)nccc23)C1=O |r|
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0.110n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312887
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3CCCCc23)C1=O |r|
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0.110n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM158798
PNG
(US9034866, 273)
Show SMILES CNC(=O)c1c(nc2-c3cc(C#CC4(O)CCCC4)c(F)cc3C3CC(C3)n12)C(N)=O |(-8.37,-.05,;-6.88,-.45,;-5.79,.64,;-6.19,2.13,;-4.3,.24,;-3.4,1.49,;-1.93,1.01,;-1.93,-.53,;-.67,-1.57,;.66,-.8,;1.99,-1.57,;3.33,-.8,;4.66,-.03,;6,.74,;4.66,1.51,;7.46,.27,;8.37,1.51,;7.46,2.76,;6,2.28,;1.99,-3.11,;3.33,-3.88,;.66,-3.88,;-.67,-3.11,;-1.88,-4.07,;-3.38,-3.72,;-4.05,-2.34,;-2.54,-2.6,;-3.4,-1,;-3.79,2.98,;-5.28,3.38,;-2.71,4.07,)|
Show InChI InChI=1S/C23H23FN4O3/c1-26-22(30)19-18(20(25)29)27-21-16-10-12(4-7-23(31)5-2-3-6-23)17(24)11-15(16)13-8-14(9-13)28(19)21/h10-11,13-14,31H,2-3,5-6,8-9H2,1H3,(H2,25,29)(H,26,30)
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0.120n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5'-triphosphate (ATP) was monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM158775
PNG
(US9034866, 250)
Show SMILES CNC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#CC(C)(C)O)C(N)=O |(-7.71,-.66,;-6.22,-1.06,;-5.45,.27,;-6.22,1.6,;-3.91,.27,;-3,1.52,;-1.54,1.04,;-1.54,-.5,;-.3,-1.59,;1.04,-.82,;2.37,-1.59,;2.37,-3.13,;1.04,-3.9,;-.3,-3.13,;-1.5,-4.09,;-3,-3.75,;-3.67,-2.36,;-2.06,-2.68,;-3,-.98,;3.7,-.82,;5.04,-.05,;6.37,.72,;7.71,-.05,;7.71,1.49,;6.37,2.26,;-3.4,3,;-4.89,3.4,;-2.31,4.09,)|
Show InChI InChI=1S/C21H22N4O3/c1-21(2,28)7-6-11-4-5-14-12-9-13(10-12)25-17(20(27)23-3)16(18(22)26)24-19(25)15(14)8-11/h4-5,8,12-13,28H,9-10H2,1-3H3,(H2,22,26)(H,23,27)
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0.120n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5'-triphosphate (ATP) was monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM312884
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3ccnnc23)C1=O |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.130n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9605005 (2017)


BindingDB Entry DOI: 10.7270/Q2T43W61
More data for this
Ligand-Target Pair
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