Found 2297 hits with Last Name = 'drobnick' and Initial = 'j' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598164
((1s,3s)-3-(Methylcarbamoyl)cyclobutyl | US11612606...)Show SMILES CNC(=O)[C@@H]1C[C@@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r,wU:6.8,4.3,(-3.33,-5.71,;-4.67,-6.48,;-6,-5.71,;-7.34,-6.48,;-6,-4.17,;-4.91,-3.08,;-6,-1.99,;-7.09,-3.08,;-6,-.45,;-4.67,.32,;-3.33,-.45,;-4.67,1.86,;-3.33,2.63,;-2,1.86,;-.67,2.63,;.67,1.86,;2,2.63,;2,4.17,;3.33,4.94,;.67,4.94,;.67,6.48,;-.67,4.17,;-2,4.94,;-3.33,4.17,;3.33,1.86,;4.67,2.63,;6,1.86,;6,.32,;7.34,-.45,;7.34,-1.99,;6,-2.76,;4.67,-1.99,;4.67,-.45,;3.33,.32,;2,-.45,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598166
((1R,5S,6s)-3-(Methylsulfonyl)-3- | US11612606, Com...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3[C@H]4CN(C[C@@H]34)S(C)(=O)=O)ncc2c(N)c1F |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598170
((1s,3s)-3-(3-Fluoroazetidin-1- | US11612606, Compo...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CC(C3)N3CC(F)C3)ncc2c(N)c1F |(2.55,-.13,;3.88,.64,;5.21,-.13,;5.21,-1.67,;6.55,-2.44,;7.88,-1.67,;7.88,-.13,;6.55,.64,;6.55,2.18,;5.21,2.95,;3.88,2.18,;2.55,2.95,;1.21,2.18,;-.12,2.95,;-1.46,2.18,;-2.79,2.95,;-4.12,2.18,;-5.46,2.95,;-5.46,4.49,;-6.79,2.18,;-6.79,.64,;-7.88,-.45,;-6.79,-1.54,;-5.7,-.45,;-6.79,-3.08,;-7.88,-4.17,;-6.79,-5.26,;-6.79,-6.8,;-5.7,-4.17,;-2.79,4.49,;-1.46,5.26,;-.12,4.49,;1.21,5.26,;1.21,6.8,;2.55,4.49,;3.88,5.26,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598177
((1s,3s)-3-Methoxy-3-methylcyclobutyl | US11612606,...)Show SMILES CO[C@]1(C)C[C@@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r,wU:5.7,2.1,wD:2.2,(-6.79,-5.5,;-7.56,-4.17,;-6.79,-2.84,;-6.02,-4.17,;-5.7,-1.75,;-6.79,-.66,;-7.88,-1.75,;-6.79,.88,;-5.46,1.65,;-5.46,3.19,;-4.12,.88,;-2.79,1.65,;-1.46,.88,;-.12,1.65,;1.21,.88,;2.55,1.65,;2.55,3.19,;3.88,3.96,;1.21,3.96,;1.21,5.5,;-.12,3.19,;-1.46,3.96,;-2.79,3.19,;3.88,.88,;5.21,1.65,;6.55,.88,;6.55,-.66,;7.88,-1.43,;7.88,-2.97,;6.55,-3.74,;5.21,-2.97,;5.21,-1.43,;3.88,-.66,;2.55,-1.43,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598189
(US11612606, Compound 535a | trans-2-Cyanocyclobuty...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CCC3C#N)ncc2c(N)c1F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598191
((1r,3s)-3-(Cyanomethyl)cyclobutyl(8- | US11612606,...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3C[C@H](CC#N)C3)ncc2c(N)c1F |r,wD:20.21,22.24,(2.55,-1.22,;3.88,-.45,;5.21,-1.22,;5.21,-2.76,;6.55,-3.53,;7.88,-2.76,;7.88,-1.22,;6.55,-.45,;6.55,1.09,;5.21,1.86,;3.88,1.09,;2.55,1.86,;1.21,1.09,;-.12,1.86,;-1.46,1.09,;-2.79,1.86,;-4.12,1.09,;-5.46,1.86,;-5.46,3.4,;-6.79,1.09,;-6.79,-.45,;-5.7,-1.54,;-6.79,-2.63,;-6.79,-4.17,;-5.46,-4.94,;-4.12,-5.71,;-7.88,-1.54,;-2.79,3.4,;-1.46,4.17,;-.12,3.4,;1.21,4.17,;1.21,5.71,;2.55,3.4,;3.88,4.17,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598192
((1s,3r)-3-(Cyanomethyl)cyclobutyl(8- amino-7-fluor...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3C[C@H](CC#N)C3)ncc2c(N)c1F |r,wU:20.21,22.24,(2.55,-1.22,;3.88,-.45,;5.21,-1.22,;5.21,-2.76,;6.55,-3.53,;7.88,-2.76,;7.88,-1.22,;6.55,-.45,;6.55,1.09,;5.21,1.86,;3.88,1.09,;2.55,1.86,;1.21,1.09,;-.12,1.86,;-1.46,1.09,;-2.79,1.86,;-4.12,1.09,;-5.46,1.86,;-5.46,3.4,;-6.79,1.09,;-6.79,-.45,;-7.88,-1.54,;-6.79,-2.63,;-6.79,-4.17,;-5.46,-4.94,;-4.12,-5.71,;-5.7,-1.54,;-2.79,3.4,;-1.46,4.17,;-.12,3.4,;1.21,4.17,;1.21,5.71,;2.55,3.4,;3.88,4.17,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598194
((1r,3r)-3-Cyano-3-methylcyclobutyl(8- amino-7-fluo...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@](C)(C3)C#N)ncc2c(N)c1F |r,wU:22.24,wD:20.21,22.27,(2.55,-1.43,;3.88,-.66,;5.21,-1.43,;5.21,-2.97,;6.55,-3.74,;7.88,-2.97,;7.88,-1.43,;6.55,-.66,;6.55,.88,;5.21,1.65,;3.88,.88,;2.55,1.65,;1.21,.88,;-.12,1.65,;-1.46,.88,;-2.79,1.65,;-4.12,.88,;-5.46,1.65,;-5.46,3.19,;-6.79,.88,;-6.79,-.66,;-7.88,-1.75,;-6.79,-2.84,;-7.56,-4.17,;-5.7,-1.75,;-6.02,-4.17,;-5.25,-5.5,;-2.79,3.19,;-1.46,3.96,;-.12,3.19,;1.21,3.96,;1.21,5.5,;2.55,3.19,;3.88,3.96,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598197
((1r,3r)-3-(Methylamino)cyclobutyl(8- | US11612606,...)Show SMILES CN[C@H]1C[C@@H](C1)OC(=O)Nc1cc2cc(c(F)c(NC(=O)OC(C)(C)C)c2cn1)-c1cnc2OCCNc2c1C |r,wU:4.6,wD:2.1,(-5.46,-7.63,;-6.79,-6.86,;-6.79,-5.32,;-5.7,-4.24,;-6.79,-3.15,;-7.88,-4.24,;-6.79,-1.61,;-5.46,-.84,;-5.46,.7,;-4.12,-1.61,;-2.79,-.84,;-1.46,-1.61,;-.12,-.84,;1.21,-1.61,;2.54,-.84,;2.54,.7,;3.88,1.47,;1.21,1.47,;1.21,3.01,;-.12,3.78,;-.12,5.32,;-1.46,3.01,;-2.79,3.78,;-2.02,5.12,;-3.56,2.45,;-4.12,4.55,;-.12,.7,;-1.46,1.47,;-2.79,.7,;3.88,-1.61,;5.21,-.84,;6.55,-1.61,;6.55,-3.15,;7.88,-3.92,;7.88,-5.46,;6.55,-6.23,;5.21,-5.46,;5.21,-3.92,;3.88,-3.15,;2.55,-3.92,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591137
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7- f...)Show SMILES CN1CCc2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3C)nn2CC1=O | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. The solut... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591144
((1R,2S,3R)-N-(8-amino-7-fluoro-6-(8-methyl-2,3-dih...)Show SMILES C[C@@H]1[C@@H]([C@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591146
(US11566003, Compound 35)Show SMILES C[C@H]1[C@@H]([C@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591155
(US11566003, Compound 111)Show SMILES C[C@@H](NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C)c1cnn(C)c1 |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591137
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7- f...)Show SMILES CN1CCc2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3C)nn2CC1=O | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598103
(US11612606, Compound 452d | amino-7-fluoro-6-(8-me...)Show SMILES CN1C[C@@H](F)[C@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598111
(US11612606, Compound 467d | azaspiro[4.4]nonan-3-y...)Show SMILES CN1CC[C@@]2(C[C@@H](CO2)OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)C1 |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598119
(US11612606, Compound 478b | amino-7-fluoro-6-(8-me...)Show SMILES CCN1C[C@H](CC1=O)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598122
(US11612606, Compound 479b | amino-7-fluoro-6-(8-me...)Show SMILES CC(C)N1C[C@H](CC1=O)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598127
((trans)-2-Cyanocyclopentyl(8-amino-7- | US11612606...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3CCCC3C#N)ncc2c(N)c1F |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598128
(US11612606, Compound 482b | fluoro-6-(8-methyl-2,3...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3CCCC3C#N)ncc2c(N)c1F |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598129
((1s,3s)-3-cyanocyclobutyl (8-amino-7- | US11612606...)Show SMILES Cc1c2NCCCc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@H](C3)C#N)ncc2c(N)c1F |r,wU:20.21,22.26,(1.88,-.07,;3.21,.7,;4.55,-.07,;4.55,-1.61,;5.88,-2.38,;7.21,-1.61,;7.21,-.07,;5.88,.7,;5.88,2.24,;4.55,3.01,;3.21,2.24,;1.88,3.01,;.54,2.24,;-.79,3.01,;-2.12,2.24,;-3.46,3.01,;-4.79,2.24,;-4.79,.7,;-3.46,-.07,;-6.12,-.07,;-6.12,-1.61,;-5.03,-2.69,;-6.12,-3.78,;-7.21,-2.69,;-6.12,-5.32,;-6.12,-6.86,;-3.46,4.55,;-2.12,5.32,;-.79,4.55,;.54,5.32,;.54,6.86,;1.88,4.55,;3.21,5.32,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598130
((1s,3s)-3-Cyanocyclobutyl(8-amino-7- | US11612606,...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@H](C3)C#N)ncc2c(N)c1F |r,wU:20.21,22.26,(4.28,-2.31,;5.61,-1.54,;6.94,-2.31,;6.94,-3.85,;8.28,-4.62,;9.61,-3.85,;9.61,-2.31,;8.28,-1.54,;8.28,,;6.94,.77,;5.61,,;4.28,.77,;2.94,,;1.61,.77,;.28,,;-1.06,.77,;-2.39,,;-2.39,-1.54,;-1.06,-2.31,;-3.72,-2.31,;-5.06,-1.54,;-6.55,-1.94,;-6.94,-.45,;-5.46,-.05,;-8.28,.32,;-9.61,1.09,;-1.06,2.31,;.28,3.08,;1.61,2.31,;2.94,3.08,;2.94,4.62,;4.28,2.31,;5.61,3.08,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591211
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7-fl...)Show SMILES Cc1c(N)cncc1-c1cc2cc(Nc3cc4CCN(CC5COC5)C(=O)Cn4n3)ncc2c(N)c1F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591217
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7-fl...)Show SMILES Cc1c(N)cncc1-c1cc2cc(Nc3cc4CCN(C5CC5)C(=O)Cn4n3)ncc2c(N)c1F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591220
(2-((8-amino-6-(5-amino-4-ethylpyridin- 3-yl)-7-flu...)Show SMILES CCc1c(N)cncc1-c1cc2cc(Nc3cc4CCN(C(C)C)C(=O)Cn4n3)ncc2c(N)c1F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591222
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7-fl...)Show SMILES Cc1c(N)cncc1-c1cc2cc(Nc3cc4CCN(CC5CC5)C(=O)Cn4n3)ncc2c(N)c1F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591225
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7-fl...)Show SMILES COCCN1CCc2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3C)nn2CC1=O | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591240
(2-((8-amino-6-(5-amino-4- chloropyridin-3-yl)-7-fl...)Show SMILES CN1CCc2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3Cl)nn2CC1=O | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591242
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7-fl...)Show SMILES CN1CC(F)c2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3C)nn2CC1=O | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591244
((S)-2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-...)Show SMILES CN1C[C@H](F)c2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3C)nn2CC1=O |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591249
(2-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7-fl...)Show SMILES CC(C)N1CCc2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3C)nn2CC1=O | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591250
(2'-((8-amino-6-(5-amino-4- methylpyridin-3-yl)-7-f...)Show SMILES CN1CC2(CC2)c2cc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cncc(N)c3C)nn2CC1=O | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM591252
(2-((8-amino-7-fluoro-6-(4-methyl-6- (oxazol-2-yl)p...)Show SMILES CC1CN(C)C(=O)Cn2nc(Nc3cc4cc(c(F)c(N)c4cn3)-c3cnc(cc3C)-c3ncco3)cc12 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2GF0ZFV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598315
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)Show SMILES CC1CC1NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598316
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)Show SMILES C[C@@H]1C[C@@H]1NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598317
(1-(8-Amino-7-fluoro-6-(4-methyl- 5,6,7,8-tetrahydr...)Show SMILES Cc1c2NCCCc2ncc1-c1cc2cc(NC(=O)NC3CC4(C3)CN(CC(F)F)C4)ncc2c(N)c1F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598318
(1-(8-Amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro...)Show SMILES Cc1c2NCCCc2ncc1-c1cc2cc(NC(=O)N[C@H]3C[C@@]4(C3)CCOC4)ncc2c(N)c1F |r,wD:20.21,22.23,(1.96,-.42,;3.29,.35,;4.62,-.42,;4.62,-1.96,;5.96,-2.73,;7.29,-1.96,;7.29,-.42,;5.96,.35,;5.96,1.89,;4.62,2.66,;3.29,1.89,;1.96,2.66,;.62,1.89,;-.71,2.66,;-2.04,1.89,;-3.38,2.66,;-4.71,1.89,;-4.71,.35,;-3.38,-.42,;-6.05,-.42,;-6.05,-1.96,;-7.13,-3.05,;-6.05,-4.14,;-4.96,-3.05,;-7.29,-5.04,;-6.82,-6.51,;-5.28,-6.51,;-4.8,-5.04,;-3.38,4.2,;-2.04,4.97,;-.71,4.2,;.62,4.97,;.62,6.51,;1.96,4.2,;3.29,4.97,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598319
(1-(8-Amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro...)Show SMILES Cc1c2NCCCc2ncc1-c1cc2cc(NC(=O)N[C@H]3C[C@@]4(C3)CCOC4)ncc2c(N)c1F |r,wU:20.21,22.24,(1.96,-.42,;3.29,.35,;4.62,-.42,;4.62,-1.96,;5.96,-2.73,;7.29,-1.96,;7.29,-.42,;5.96,.35,;5.96,1.89,;4.62,2.66,;3.29,1.89,;1.96,2.66,;.62,1.89,;-.71,2.66,;-2.04,1.89,;-3.38,2.66,;-4.71,1.89,;-4.71,.35,;-3.38,-.42,;-6.05,-.42,;-6.05,-1.96,;-4.96,-3.05,;-6.05,-4.14,;-7.13,-3.05,;-7.29,-5.04,;-6.82,-6.51,;-5.28,-6.51,;-4.8,-5.04,;-3.38,4.2,;-2.04,4.97,;-.71,4.2,;.62,4.97,;.62,6.51,;1.96,4.2,;3.29,4.97,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598322
(1-(8-amino-7-fluoro-6-(8-methyl-2,3- dihydro-1H-py...)Show SMILES CC(C)NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598323
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)N[C@H]3CCOC[C@H]3F)ncc2c(N)c1F |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598323
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)N[C@H]3CCOC[C@H]3F)ncc2c(N)c1F |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598325
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)N[C@@H]3C[C@H](F)C3)ncc2c(N)c1F |r,wU:20.21,22.24,(1.88,-.84,;3.21,-.07,;4.55,-.84,;4.55,-2.38,;5.88,-3.15,;7.21,-2.38,;7.21,-.84,;5.88,-.07,;5.88,1.47,;4.55,2.24,;3.21,1.47,;1.88,2.24,;.54,1.47,;-.79,2.24,;-2.12,1.47,;-3.46,2.24,;-4.79,1.47,;-4.79,-.07,;-3.46,-.84,;-6.12,-.84,;-6.12,-2.38,;-7.21,-3.47,;-6.12,-4.55,;-6.12,-6.09,;-5.03,-3.47,;-3.46,3.78,;-2.12,4.55,;-.79,3.78,;.54,4.55,;.54,6.09,;1.88,3.78,;3.21,4.55,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598329
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)Show SMILES CO[C@@H]1COCC[C@@H]1NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598204
((1R,5S,6s)-3-Oxabicyclo[3.1.0]hexan-6-yl(8-amino-7...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3[C@@H]4COC[C@@H]34)ncc2c(N)c1F |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598210
(US11612606, Compound 546a | trans-4-Methoxytetrahy...)Show SMILES CO[C@@H]1COC[C@@H]1OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598214
((1s,3s)-3-(2-Cyanopropan-2- | US11612606, Compound...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@H](C3)C(C)(C)C#N)ncc2c(N)c1F |r,wD:20.21,22.26,(2.67,-1.22,;4,-.45,;5.33,-1.22,;5.33,-2.76,;6.67,-3.53,;8,-2.76,;8,-1.22,;6.67,-.45,;6.67,1.09,;5.33,1.86,;4,1.09,;2.67,1.86,;1.33,1.09,;,1.86,;-1.33,1.09,;-2.67,1.86,;-4,1.09,;-5.33,1.86,;-5.33,3.4,;-6.67,1.09,;-6.67,-.45,;-7.76,-1.54,;-6.67,-2.63,;-5.58,-1.54,;-6.67,-4.17,;-8,-4.94,;-5.33,-3.4,;-5.33,-4.94,;-4,-5.71,;-2.67,3.4,;-1.33,4.17,;,3.4,;1.33,4.17,;1.33,5.71,;2.67,3.4,;4,4.17,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598215
((1r,3r)-3-(2-Cyanopropan-2- yl)cyclobutyl(8-amino-...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@@H](C3)C(C)(C)C#N)ncc2c(N)c1F |r,wU:20.21,wD:22.26,(2.67,-1.22,;4,-.45,;5.33,-1.22,;5.33,-2.76,;6.67,-3.53,;8,-2.76,;8,-1.22,;6.67,-.45,;6.67,1.09,;5.33,1.86,;4,1.09,;2.67,1.86,;1.33,1.09,;,1.86,;-1.33,1.09,;-2.67,1.86,;-4,1.09,;-5.33,1.86,;-5.33,3.4,;-6.67,1.09,;-6.67,-.45,;-5.58,-1.54,;-6.67,-2.63,;-7.76,-1.54,;-6.67,-4.17,;-8,-4.94,;-5.33,-3.4,;-5.33,-4.94,;-4,-5.71,;-2.67,3.4,;-1.33,4.17,;,3.4,;1.33,4.17,;1.33,5.71,;2.67,3.4,;4,4.17,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598216
((1r,3r)-3-Morpholinocyclobutyl(8- | US11612606, Co...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3CC(C3)N3CCOCC3)ncc2c(N)c1F |r,wU:20.21,(1.94,.72,;3.28,1.47,;4.67,.7,;4.67,-.84,;6,-1.61,;7.34,-.84,;7.34,.7,;6,1.47,;6,3.01,;4.67,3.78,;3.33,3.01,;2,3.78,;.67,3.01,;-.67,3.78,;-2,3.01,;-3.33,3.78,;-4.67,3.01,;-4.67,1.47,;-3.33,.7,;-6,.7,;-6,-.84,;-4.91,-1.93,;-6,-3.01,;-7.09,-1.93,;-6,-4.55,;-7.34,-5.32,;-7.34,-6.86,;-6,-7.63,;-4.67,-6.86,;-4.67,-5.32,;-3.33,5.32,;-2,6.09,;-.67,5.32,;.67,6.09,;.67,7.63,;2,5.32,;3.33,6.09,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598218
((1s,3s)-3-Cyclopropyl-3- | US11612606, Compound 55...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CC(O)(C3)C3CC3)ncc2c(N)c1F |(2.62,-.32,;3.96,.45,;5.29,-.32,;5.29,-1.86,;6.62,-2.63,;7.96,-1.86,;7.96,-.32,;6.62,.45,;6.62,1.99,;5.29,2.76,;3.96,1.99,;2.62,2.76,;1.29,1.99,;-.05,2.76,;-1.38,1.99,;-2.71,2.76,;-4.05,1.99,;-4.05,.45,;-2.71,-.32,;-5.38,-.32,;-5.38,-1.86,;-6.47,-2.95,;-5.38,-4.04,;-4.29,-5.12,;-4.29,-2.95,;-6.47,-5.12,;-7.96,-5.52,;-6.87,-6.61,;-2.71,4.3,;-1.38,5.07,;-.05,4.3,;1.29,5.07,;1.29,6.61,;2.62,4.3,;3.96,5.07,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598220
((1s,3s)-3-hydroxycyclobutyl(8-amino-7- | US1161260...)Show SMILES Cc1c2NCCCc2ncc1-c1cc2cc(NC(=O)O[C@@H]3C[C@H](O)C3)ncc2c(N)c1F |r,wU:20.21,22.24,(1.88,-.84,;3.21,-.07,;4.55,-.84,;4.55,-2.38,;5.88,-3.15,;7.21,-2.38,;7.21,-.84,;5.88,-.07,;5.88,1.47,;4.55,2.24,;3.21,1.47,;1.88,2.24,;.54,1.47,;-.79,2.24,;-2.12,1.47,;-3.46,2.24,;-4.79,1.47,;-4.79,-.07,;-3.46,-.84,;-6.12,-.84,;-6.12,-2.38,;-7.21,-3.47,;-6.12,-4.55,;-6.12,-6.09,;-5.03,-3.47,;-3.46,3.78,;-2.12,4.55,;-.79,3.78,;.54,4.55,;.54,6.09,;1.88,3.78,;3.21,4.55,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
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