Found 1688 hits with Last Name = 'loyer-drew' 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)) | BDBM529791
(US11203591, Example 198)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CC4)C(F)F)c(Cl)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1CCCOCC1)C(=O)C2(C)C |(11.31,-2.5,;9.81,-2.18,;8.78,-3.32,;9.33,-.71,;10.23,.53,;9.33,1.78,;7.87,1.3,;6.53,2.07,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;6.53,-2.55,;5.2,-3.32,;5.2,-4.86,;3.86,-5.63,;3.86,-7.17,;2.53,-7.94,;5.2,-7.94,;5.2,-9.48,;4.67,-10.92,;3.68,-9.74,;6.71,-9.74,;7.7,-8.56,;7.24,-11.19,;2.53,-4.86,;1.2,-5.63,;2.53,-3.32,;1.2,-2.55,;3.86,-2.55,;3.86,-1.01,;7.87,-.24,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;1.2,2.07,;2.53,1.3,;-.27,1.6,;-.74,.13,;-.04,-1.24,;-1.42,-1.94,;-1.06,-3.44,;-2.12,-.57,;-2.59,-2.94,;-2.19,-4.43,;-3.11,-5.66,;-4.65,-5.72,;-5.65,-4.54,;-5.36,-3.03,;-4,-2.32,;-1.17,2.84,;-2.71,2.84,;-.27,4.09,;.04,5.6,;-1.4,5.13,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529832
(US11203591, Example 238)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(ccc3F)C(=O)NC3(CC3)C(F)F)c12)-c1ccc2c(c1)N(C1CC(C)(C1)N1CCCCC1)C(=O)C2(C)C |(13.94,7.78,;12.91,6.63,;13.39,5.17,;11.4,6.95,;10.78,8.36,;9.25,8.2,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;10.26,4.38,;11.59,3.61,;11.59,2.07,;12.93,1.3,;12.93,-.24,;11.59,-1.01,;10.26,-.24,;10.26,1.3,;8.93,2.07,;14.26,-1.01,;14.26,-2.55,;15.59,-.24,;16.93,-1.01,;16.4,-2.45,;17.92,-2.19,;17.92,.17,;17.39,1.62,;19.43,-.09,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;3.59,3.61,;4.92,4.38,;2.13,4.09,;1.65,5.55,;.28,6.25,;.98,7.62,;1.34,9.12,;2.35,6.93,;-.19,8.62,;-1.65,8.11,;-2.82,9.11,;-2.54,10.63,;-1.08,11.14,;.09,10.14,;1.22,2.84,;-.32,2.84,;2.13,1.6,;2.43,.09,;.99,.55,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529862
(US11203591, Example 268)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NCC(F)F)c(C)c(F)c3F)c12)-c1ccc2c(c1)N(C1CC(C)(C1)N1CCCCC1)C(=O)C2(C)C |(13.94,7.78,;12.91,6.63,;13.39,5.17,;11.4,6.95,;10.78,8.36,;9.25,8.2,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;10.26,4.38,;11.59,3.61,;11.59,2.07,;12.93,1.3,;12.93,-.24,;14.26,-1.01,;15.59,-.24,;14.26,-2.55,;15.59,-3.32,;15.59,-4.86,;16.93,-5.63,;14.26,-5.63,;11.59,-1.01,;11.59,-2.55,;10.26,-.24,;8.93,-1.01,;10.26,1.3,;8.93,2.07,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;3.59,3.61,;4.92,4.38,;2.13,4.09,;1.65,5.55,;.28,6.25,;.98,7.62,;1.34,9.12,;2.35,6.93,;-.19,8.62,;-1.65,8.11,;-2.82,9.11,;-2.54,10.63,;-1.08,11.14,;.09,10.14,;1.22,2.84,;-.32,2.84,;2.13,1.6,;2.43,.09,;.99,.55,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529868
(US11203591, Example 274)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NCC(F)F)c(F)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1CCCCC1)C(=O)C2(C)C |(11.31,-2.5,;9.81,-2.18,;8.78,-3.32,;9.33,-.71,;10.23,.53,;9.33,1.78,;7.87,1.3,;6.53,2.07,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;6.53,-2.55,;5.2,-3.32,;5.2,-4.86,;3.86,-5.63,;3.86,-7.17,;5.2,-7.94,;2.53,-7.94,;2.53,-9.48,;1.2,-10.25,;1.2,-11.79,;-.14,-9.48,;2.53,-4.86,;1.2,-5.63,;2.53,-3.32,;1.2,-2.55,;3.86,-2.55,;3.86,-1.01,;7.87,-.24,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;1.2,2.07,;2.53,1.3,;-.27,1.6,;-.74,.13,;-.04,-1.24,;-1.42,-1.94,;-1.06,-3.44,;-2.12,-.57,;-2.59,-2.94,;-2.31,-4.45,;-3.48,-5.45,;-4.93,-4.94,;-5.21,-3.43,;-4.04,-2.43,;-1.17,2.84,;-2.71,2.84,;-.27,4.09,;.04,5.6,;-1.4,5.13,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529833
(US11203591, Example 239)Show SMILES CCNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2ccc3c(c2)N(C2CC(C)(C2)N2CCCCC2)C(=O)C3(C)C)c(F)c(F)c1C |(5.2,4.38,;6.53,3.61,;7.87,4.38,;7.87,5.92,;9.2,6.69,;6.53,6.69,;5.2,5.92,;3.86,6.69,;2.53,5.92,;2.53,4.38,;3.86,3.61,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;-.74,5.55,;-2.25,5.87,;.29,6.7,;1.2,3.61,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;7.87,-.24,;7.87,1.3,;6.53,2.07,;9.33,1.78,;9.81,3.24,;9.11,4.62,;10.48,5.31,;10.12,6.81,;11.18,3.94,;11.65,6.31,;11.37,7.83,;12.54,8.83,;13.99,8.32,;14.27,6.8,;13.1,5.8,;10.23,.53,;11.77,.53,;9.33,-.71,;8.7,-2.12,;10.66,-1.48,;3.86,8.23,;2.53,9,;5.2,9,;5.2,10.54,;6.53,8.23,;7.87,9,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529840
(US11203591, Example 246)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CC4)C(F)F)c(C)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C1)N1CCCCC1)C(=O)C2(C)C |(11.31,-2.5,;9.81,-2.18,;8.78,-3.32,;9.33,-.71,;10.23,.53,;9.33,1.78,;7.87,1.3,;6.53,2.07,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;6.53,-2.55,;5.2,-3.32,;5.2,-4.86,;3.86,-5.63,;3.86,-7.17,;2.53,-7.94,;5.2,-7.94,;6.53,-7.17,;6,-5.72,;7.52,-5.99,;7.52,-8.35,;6.99,-9.79,;9.04,-8.08,;2.53,-4.86,;1.2,-5.63,;2.53,-3.32,;1.2,-2.55,;3.86,-2.55,;3.86,-1.01,;7.87,-.24,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;1.2,2.07,;2.53,1.3,;-.27,1.6,;-.74,.13,;-.04,-1.24,;-1.42,-1.94,;-2.12,-.57,;-1.89,-3.4,;-.86,-4.55,;-1.34,-6.01,;-2.84,-6.33,;-3.87,-5.19,;-3.4,-3.72,;-1.17,2.84,;-2.71,2.84,;-.27,4.09,;.04,5.6,;-1.4,5.13,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM509018
(US11071730, Example 125)Show SMILES CC(C)n1cnc2cc(nc(Nc3ccncc3F)c12)-c1ccc2c(c1)N(C1CC(C1)N1CC3CCC(C3)C1)C(=O)C21CCN(CC1)C(=O)C1CCO1 |(10.16,-3.43,;8.64,-3.66,;8.07,-5.09,;7.68,-2.45,;8.1,-.97,;6.81,-.11,;5.61,-1.07,;4.09,-.81,;3.11,-2,;3.64,-3.44,;5.16,-3.7,;5.7,-5.14,;4.72,-6.33,;5.25,-7.77,;4.27,-8.96,;2.75,-8.7,;2.22,-7.26,;3.2,-6.07,;2.66,-4.63,;6.14,-2.51,;1.59,-1.74,;.61,-2.93,;-.91,-2.67,;-1.45,-1.23,;-.47,-.04,;1.05,-.3,;-1.29,1.26,;-.72,2.69,;-1.33,4.1,;.08,4.72,;.69,3.3,;.65,6.15,;-.26,7.39,;.37,8.8,;.53,7.27,;1.54,6.87,;2.8,7.71,;1.9,8.96,;2.18,6.31,;-2.78,.88,;-3.97,1.86,;-2.88,-.66,;-2.82,-2.2,;-4.12,-3.02,;-5.48,-2.31,;-5.54,-.77,;-4.24,.05,;-6.78,-3.13,;-6.72,-4.67,;-8.15,-2.42,;-9.65,-2.74,;-10.3,-1.17,;-8.77,-1.01,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Recombinant HPK1 kinase domain produced via baculovirus infection of insect cells was obtained from Proteros (Proteros Biostructures #PR-0322) and wa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RR22CJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529845
(US11203591, Example 251)Show SMILES CCNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2cnc3c(c2)N(C(=O)C3(C)C)C2(CC(C)C2)N2CCC3CC3C2)c(F)c(F)c1Cl |(11.87,6.69,;10.53,5.92,;9.2,6.69,;7.87,5.92,;7.87,4.38,;6.53,6.69,;5.2,5.92,;3.86,6.69,;2.53,5.92,;2.53,4.38,;3.86,3.61,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;-.74,5.55,;-2.25,5.87,;.29,6.7,;1.2,3.61,;5.2,1.3,;6.53,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;6.85,-2.51,;8.38,-2.67,;9.15,-4.01,;9.01,-1.27,;10.48,-1.73,;10.16,-.25,;5.82,-3.66,;6.97,-4.69,;5.94,-5.83,;6.02,-7.37,;4.79,-4.8,;4.68,-2.63,;5,-1.12,;3.85,-.09,;2.39,-.57,;.92,-1.04,;2.07,-2.07,;3.21,-3.1,;3.86,8.23,;2.53,9,;5.2,9,;5.2,10.54,;6.53,8.23,;7.87,9,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529602
(US11203591, Example 17)Show SMILES Cc1ccc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCC[C@@H](F)C2)C(=O)C3(C)C)cc1C(N)=O |r,wU:25.28,27.33,33.38,(-1.71,-4.45,;-.37,-3.68,;-.37,-2.14,;.96,-1.37,;2.29,-2.14,;3.63,-1.37,;3.63,.17,;2.29,.94,;2.29,2.48,;3.63,3.25,;4.96,2.48,;6.43,2.96,;7.33,1.71,;6.43,.47,;6.83,-1.02,;6.43,-2.51,;7.91,-2.11,;4.96,.94,;.96,3.25,;.96,4.79,;-.37,5.56,;-1.71,4.79,;-1.71,3.25,;-.37,2.48,;-3.17,2.78,;-3.57,1.29,;-2.8,-.04,;-4.13,-.81,;-4.9,.52,;-4.53,-2.3,;-3.42,-3.4,;-3.82,-4.91,;-5.33,-5.31,;-6.43,-4.2,;-7.91,-4.6,;-6.02,-2.7,;-4.08,4.02,;-5.62,4.02,;-3.17,5.27,;-4.26,6.36,;-2.77,6.76,;2.29,-3.68,;.96,-4.45,;.96,-5.99,;2.29,-6.76,;-.37,-6.76,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529843
(US11203591, Example 249)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CF)CC4)c(Cl)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1CCCCCC1)C(=O)C2(C)C |(-2.25,5.87,;-.74,5.55,;.29,6.7,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;2.53,5.92,;3.86,6.69,;5.2,5.92,;6.53,6.69,;7.87,5.92,;7.87,4.38,;9.2,6.69,;10.53,5.92,;11.52,7.1,;11,8.55,;11.52,4.74,;10.01,4.48,;6.53,8.23,;7.87,9,;5.2,9,;5.2,10.54,;3.86,8.23,;2.53,9,;1.2,3.61,;5.2,1.3,;6.53,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;6.85,-2.51,;5.82,-3.66,;4.28,-3.74,;4.36,-5.28,;2.83,-5.36,;5.9,-5.2,;4.44,-6.81,;5.87,-7.41,;6.29,-8.89,;5.39,-10.14,;3.85,-10.22,;2.83,-9.07,;3.09,-7.55,;8.38,-2.67,;9.15,-4.01,;9.01,-1.27,;10.48,-1.73,;10.16,-.25,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529857
(US11203591, Example 263)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CC4)C(F)F)c(Cl)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1C[C@H]3CC[C@@H]1C3)C(=O)C2(C)C |wU:45.56,48.55,(-2.25,5.87,;-.74,5.55,;.29,6.7,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;2.53,5.92,;3.86,6.69,;5.2,5.92,;6.53,6.69,;7.87,5.92,;7.87,4.38,;9.2,6.69,;10.53,5.92,;11.52,4.74,;10.01,4.48,;11.52,7.1,;11,8.55,;13.04,6.84,;6.53,8.23,;7.87,9,;5.2,9,;5.2,10.54,;3.86,8.23,;2.53,9,;1.2,3.61,;5.2,1.3,;6.53,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;6.85,-2.51,;5.82,-3.66,;4.28,-3.74,;4.36,-5.28,;2.83,-5.36,;5.9,-5.2,;4.44,-6.81,;3.15,-7.65,;3.23,-9.19,;4.61,-9.89,;5.9,-9.05,;5.82,-7.51,;4.73,-8.68,;8.38,-2.67,;9.15,-4.01,;9.01,-1.27,;10.48,-1.73,;10.16,-.25,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM508953
(US11071730, Example 62)Show SMILES CC(C)n1cnc2cc(nc(Nc3ccncc3F)c12)-c1ccc2c(c1)N([C@H]1C[C@H](C1)N1CC3CCC(C3)C1)C(=O)C2(C)C |r,wU:27.30,29.35,(5.06,-2.95,;6.09,-1.8,;7.59,-2.12,;5.61,-.34,;6.52,.91,;5.61,2.15,;4.15,1.68,;2.81,2.45,;1.48,1.68,;1.48,.14,;2.81,-.63,;2.81,-2.17,;1.48,-2.94,;1.48,-4.48,;.15,-5.25,;-1.19,-4.48,;-1.19,-2.94,;.15,-2.17,;.15,-.63,;4.15,.14,;.15,2.45,;.15,3.99,;-1.19,4.76,;-2.52,3.99,;-2.52,2.45,;-1.19,1.68,;-3.99,1.97,;-4.46,.51,;-3.76,-.87,;-5.14,-1.57,;-5.83,-.19,;-5.61,-3.03,;-7.12,-3.35,;-7.59,-4.82,;-6.7,-4.01,;-5.36,-4.43,;-5.06,-5.64,;-6.56,-5.96,;-4.58,-4.17,;-4.89,3.22,;-6.43,3.22,;-3.99,4.46,;-5.16,5.46,;-3.63,5.96,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Recombinant HPK1 kinase domain produced via baculovirus infection of insect cells was obtained from Proteros (Proteros Biostructures #PR-0322) and wa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RR22CJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529887
(US11203591, Example 293)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CF)CC4)c(Cl)cc3F)c12)-c1ccc2c(c1)N(C1CC(C)(C1)N1CCCCC1)C(=O)C2(C)C |(13.94,7.78,;12.91,6.63,;13.39,5.17,;11.4,6.95,;10.78,8.36,;9.25,8.2,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;10.26,4.38,;11.59,3.61,;11.59,2.07,;12.93,1.3,;12.93,-.24,;14.26,-1.01,;14.26,-2.55,;15.59,-.24,;16.93,-1.01,;17.92,.17,;17.39,1.62,;17.92,-2.19,;16.4,-2.45,;11.59,-1.01,;11.59,-2.55,;10.26,-.24,;10.26,1.3,;8.93,2.07,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;3.59,3.61,;4.92,4.38,;2.13,4.09,;1.65,5.55,;.28,6.25,;.98,7.62,;1.34,9.12,;2.35,6.93,;-.19,8.62,;-1.65,8.11,;-2.82,9.11,;-2.54,10.63,;-1.08,11.14,;.09,10.14,;1.22,2.84,;-.32,2.84,;2.13,1.6,;2.43,.09,;.99,.55,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529837
(US11203591, Example 243)Show SMILES CC(C)n1cnc2cc(nc(Nc3c(F)c(F)cc(C(N)=O)c3C3(CC3)C(F)F)c12)-c1ccc2c(c1)N(C1CC(C)(C1)N1CCCCC1)C(=O)C2(C)C |(13.94,7.78,;12.91,6.63,;13.39,5.17,;11.4,6.95,;10.78,8.36,;9.25,8.2,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;10.26,4.38,;11.59,3.61,;11.59,2.07,;10.26,1.3,;8.93,2.07,;10.26,-.24,;8.93,-1.01,;11.59,-1.01,;12.93,-.24,;14.26,-1.01,;15.77,-.69,;14.26,-2.55,;12.93,1.3,;14.26,2.07,;13.73,3.52,;15.25,3.25,;15.25,.89,;14.72,-.55,;16.77,1.16,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;3.59,3.61,;4.92,4.38,;2.13,4.09,;1.65,5.55,;.28,6.25,;.98,7.62,;1.34,9.12,;2.35,6.93,;-.19,8.62,;-1.65,8.11,;-2.82,9.11,;-2.54,10.63,;-1.08,11.14,;.09,10.14,;1.22,2.84,;-.32,2.84,;2.13,1.6,;2.43,.09,;.99,.55,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529838
(US11203591, Example 244)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CC4)C(F)F)c(Cl)c(F)c3F)c12)-c1ccc2c(c1)N(C1CC(C1)N1CCCCC1)C(=O)C2(C)C |(13.94,7.78,;12.91,6.63,;13.39,5.17,;11.4,6.95,;10.78,8.36,;9.25,8.2,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;10.26,4.38,;11.59,3.61,;11.59,2.07,;12.93,1.3,;12.93,-.24,;14.26,-1.01,;14.26,-2.55,;15.59,-.24,;16.93,-1.01,;17.92,-2.19,;16.4,-2.45,;17.92,.17,;17.39,1.62,;19.43,-.09,;11.59,-1.01,;11.59,-2.55,;10.26,-.24,;8.93,-1.01,;10.26,1.3,;8.93,2.07,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;3.59,3.61,;4.92,4.38,;2.13,4.09,;1.65,5.55,;.28,6.25,;.98,7.62,;2.35,6.93,;.5,9.09,;-1.01,9.41,;-1.48,10.87,;-.45,12.02,;1.06,11.7,;1.53,10.23,;1.22,2.84,;-.32,2.84,;2.13,1.6,;2.43,.09,;.99,.55,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529841
(US11203591, Example 247)Show SMILES CCNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2cnc3c(c2)N(C2CC(C)(C2)N2CCCCCC2)C(=O)C3(C)C)c(F)c(F)c1Cl |(11.87,6.69,;10.53,5.92,;9.2,6.69,;7.87,5.92,;7.87,4.38,;6.53,6.69,;5.2,5.92,;3.86,6.69,;2.53,5.92,;2.53,4.38,;3.86,3.61,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;-.74,5.55,;-2.25,5.87,;.29,6.7,;1.2,3.61,;5.2,1.3,;6.53,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;6.85,-2.51,;5.82,-3.66,;4.28,-3.74,;4.36,-5.28,;2.83,-5.36,;5.9,-5.2,;4.44,-6.81,;5.87,-7.41,;6.29,-8.89,;5.39,-10.14,;3.85,-10.22,;2.83,-9.07,;3.09,-7.55,;8.38,-2.67,;9.15,-4.01,;9.01,-1.27,;10.48,-1.73,;10.16,-.25,;3.86,8.23,;2.53,9,;5.2,9,;5.2,10.54,;6.53,8.23,;7.87,9,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529842
(US11203591, Example 248)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NCC(F)F)c(Cl)c(F)c3F)c12)-c1cnc2c(c1)N(C(=O)C2(C)C)C1(CC(C)C1)N1CCCCCC1 |(-2.25,5.87,;-.74,5.55,;.29,6.7,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;2.53,5.92,;3.86,6.69,;5.2,5.92,;6.53,6.69,;7.87,5.92,;7.87,4.38,;9.2,6.69,;9.2,8.23,;10.53,9,;10.53,10.54,;11.87,8.23,;6.53,8.23,;7.87,9,;5.2,9,;5.2,10.54,;3.86,8.23,;2.53,9,;1.2,3.61,;5.2,1.3,;6.53,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;6.85,-2.51,;8.38,-2.67,;9.15,-4.01,;9.01,-1.27,;10.48,-1.73,;10.16,-.25,;5.82,-3.66,;6.97,-4.69,;5.94,-5.83,;6.02,-7.37,;4.79,-4.8,;4.68,-2.63,;3.25,-3.21,;1.91,-2.46,;1.65,-.94,;2.68,.2,;4.22,.11,;5.11,-1.15,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529846
(US11203591, Example 252)Show SMILES CCNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2cnc3c(c2)N([C@H]2C[C@](C)(C2)N2CCC4CC4C2)C(=O)C3(C)C)c(F)c(F)c1Cl |r,wU:28.30,wD:30.33,(4.39,-6.77,;3.06,-6,;1.73,-6.77,;.39,-6,;-.94,-6.77,;.39,-4.46,;1.73,-3.69,;1.73,-2.15,;3.06,-1.38,;3.06,.16,;1.73,.93,;1.73,2.47,;3.06,3.24,;4.39,2.47,;5.86,2.95,;6.76,1.7,;5.86,.46,;6.33,-1.01,;7.82,-1.41,;5.25,-2.1,;4.39,.93,;.39,3.24,;.39,4.78,;-.94,5.55,;-2.27,4.78,;-2.27,3.24,;-.94,2.47,;-3.74,2.77,;-4.21,1.3,;-3.52,-.07,;-4.89,-.77,;-4.12,-2.1,;-5.59,.6,;-5.36,-2.23,;-4.33,-3.38,;-4.81,-4.84,;-6.32,-5.16,;-7.82,-5.48,;-7.35,-4.02,;-6.87,-2.55,;-4.64,4.01,;-6.18,4.01,;-3.74,5.26,;-4.88,6.29,;-3.42,6.77,;.39,-1.38,;.39,.16,;-.94,-2.15,;-2.27,-1.38,;-.94,-3.69,;-2.27,-4.46,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529847
(US11203591, Example 253)Show SMILES CCNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2cnc3c(c2)N([C@H]2C[C@@](C)(C2)N2CCC4CC4C2)C(=O)C3(C)C)c(F)c(F)c1Cl |r,wU:28.30,30.33,(4.39,-6.77,;3.06,-6,;1.73,-6.77,;.39,-6,;-.94,-6.77,;.39,-4.46,;1.73,-3.69,;1.73,-2.15,;3.06,-1.38,;3.06,.16,;1.73,.93,;1.73,2.47,;3.06,3.24,;4.39,2.47,;5.86,2.95,;6.76,1.7,;5.86,.46,;6.33,-1.01,;7.82,-1.41,;5.25,-2.1,;4.39,.93,;.39,3.24,;.39,4.78,;-.94,5.55,;-2.27,4.78,;-2.27,3.24,;-.94,2.47,;-3.74,2.77,;-4.21,1.3,;-3.52,-.07,;-4.89,-.77,;-4.12,-2.1,;-5.59,.6,;-5.36,-2.23,;-4.33,-3.38,;-4.81,-4.84,;-6.32,-5.16,;-7.82,-5.48,;-7.35,-4.02,;-6.87,-2.55,;-4.64,4.01,;-6.18,4.01,;-3.74,5.26,;-4.88,6.29,;-3.42,6.77,;.39,-1.38,;.39,.16,;-.94,-2.15,;-2.27,-1.38,;-.94,-3.69,;-2.27,-4.46,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529848
(US11203591, Example 254)Show SMILES CC(C)NC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2cnc3c(c2)N(C2CC(C)(C2)N2CCC4CC4C2)C(=O)C3(C)C)c(F)c(F)c1Cl |(11.87,6.69,;10.53,5.92,;10.53,4.38,;9.2,6.69,;7.87,5.92,;7.87,4.38,;6.53,6.69,;5.2,5.92,;3.86,6.69,;2.53,5.92,;2.53,4.38,;3.86,3.61,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;-.74,5.55,;-2.25,5.87,;.29,6.7,;1.2,3.61,;5.2,1.3,;6.53,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;6.85,-2.51,;5.82,-3.66,;4.28,-3.74,;4.36,-5.28,;2.83,-5.36,;5.9,-5.2,;4.44,-6.81,;5.82,-7.51,;5.9,-9.05,;4.61,-9.89,;3.31,-10.73,;3.23,-9.19,;3.15,-7.65,;8.38,-2.67,;9.15,-4.01,;9.01,-1.27,;10.48,-1.73,;10.16,-.25,;3.86,8.23,;2.53,9,;5.2,9,;5.2,10.54,;6.53,8.23,;7.87,9,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529850
(US11203591, Example 256)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NCC(F)F)c(Cl)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1CCC3CC3C1)C(=O)C2(C)C |(-2.25,5.87,;-.74,5.55,;.29,6.7,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;2.53,5.92,;3.86,6.69,;5.2,5.92,;6.53,6.69,;7.87,5.92,;7.87,4.38,;9.2,6.69,;9.2,8.23,;10.53,9,;10.53,10.54,;11.87,8.23,;6.53,8.23,;7.87,9,;5.2,9,;5.2,10.54,;3.86,8.23,;2.53,9,;1.2,3.61,;5.2,1.3,;6.53,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;6.85,-2.51,;5.82,-3.66,;4.28,-3.74,;4.36,-5.28,;4.44,-6.81,;5.9,-5.2,;2.83,-5.36,;2.13,-6.73,;.59,-6.81,;-.25,-5.52,;-1.09,-4.23,;.45,-4.15,;1.99,-4.07,;8.38,-2.67,;9.15,-4.01,;9.01,-1.27,;10.48,-1.73,;10.16,-.25,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529744
(US11203591, Example 151)Show SMILES CNC(=O)c1cc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCCCC2)C(=O)C32CCN(CC2)C(=O)[C@@H](C)O)ccc1C |r,wU:27.30,29.35,47.56,(1.81,-9.96,;1.81,-8.42,;.48,-7.65,;-.86,-8.42,;.48,-6.11,;1.81,-5.34,;1.81,-3.8,;3.14,-3.03,;3.14,-1.49,;1.81,-.72,;1.81,.82,;3.14,1.59,;4.48,.82,;5.94,1.3,;6.85,.05,;5.94,-1.19,;6.34,-2.68,;5.94,-4.17,;7.43,-3.77,;4.48,-.72,;.48,1.59,;.48,3.13,;-.86,3.9,;-2.19,3.13,;-2.19,1.59,;-.86,.82,;-3.66,1.12,;-4.06,-.37,;-3.29,-1.7,;-4.62,-2.47,;-5.39,-1.14,;-5.02,-3.96,;-6.5,-4.36,;-6.9,-5.85,;-5.81,-6.94,;-4.33,-6.54,;-3.93,-5.05,;-4.56,2.36,;-6.1,2.36,;-3.66,3.61,;-2.57,4.7,;-2.97,6.19,;-4.45,6.58,;-5.54,5.49,;-5.14,4.01,;-4.85,8.07,;-3.76,9.16,;-6.34,8.47,;-7.43,7.38,;-6.74,9.96,;.48,-3.03,;-.86,-3.8,;-.86,-5.34,;-2.19,-6.11,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529776
(US11203591, Example 183)Show SMILES Cc1ccc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N(C2CC(C)(C2)N2CCCCC2)C(=O)C3(C)C)cc1C(N)=O |(11.59,-2.55,;11.59,-1.01,;10.26,-.24,;10.26,1.3,;11.59,2.07,;11.59,3.61,;10.26,4.38,;8.93,3.61,;7.59,4.38,;7.59,5.92,;8.93,6.69,;9.25,8.2,;10.78,8.36,;11.4,6.95,;12.91,6.63,;14.37,7.11,;14.05,5.6,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;3.59,3.61,;4.92,4.38,;2.13,4.09,;1.65,5.55,;.28,6.25,;.98,7.62,;1.34,9.12,;2.35,6.93,;-.19,8.62,;-1.65,8.11,;-2.82,9.11,;-2.54,10.63,;-1.08,11.14,;.09,10.14,;1.22,2.84,;-.32,2.84,;2.13,1.6,;2.43,.09,;.99,.55,;12.93,1.3,;12.93,-.24,;14.26,-1.01,;14.26,-2.55,;15.59,-.24,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529706
(US11203591, Example 114)Show SMILES CC[C@H](C)n1cnc2cc(nc(Nc3ccc(Cl)c(c3)C(=O)NC)c12)-c1ccc2c(c1)N([C@H]1C[C@H](C1)N1CCCCC1)C(=O)C2(C)C |r,wU:32.35,34.40,wD:2.2,(7.91,-.33,;6.82,-1.42,;5.33,-1.02,;4.24,-2.11,;4.93,.47,;5.84,1.71,;4.93,2.96,;3.47,2.48,;2.14,3.25,;.8,2.48,;.8,.94,;2.14,.17,;2.14,-1.37,;.8,-2.14,;-.53,-1.37,;-1.86,-2.14,;-1.86,-3.68,;-3.2,-4.45,;-.53,-4.45,;.8,-3.68,;-.53,-5.99,;-1.86,-6.76,;.8,-6.76,;2.14,-5.99,;3.47,.94,;-.53,3.25,;-.53,4.79,;-1.86,5.56,;-3.2,4.79,;-3.2,3.25,;-1.86,2.48,;-4.66,2.78,;-5.06,1.29,;-4.29,-.04,;-5.63,-.81,;-6.4,.52,;-6.02,-2.3,;-7.51,-2.7,;-7.91,-4.19,;-6.82,-5.28,;-5.33,-4.88,;-4.93,-3.39,;-5.57,4.02,;-7.11,4.02,;-4.66,5.27,;-4.26,6.76,;-5.75,6.36,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529605
(US11203591, Example 20)Show SMILES CC(C)n1cnc2cc(nc(Nc3ccc(C)c(c3)C(=O)NCC(F)F)c12)-c1ccc2c(c1)N([C@H]1C[C@H](C1)N1CCCCC1)C(=O)C2(C)C |r,wU:34.37,36.42,(4.79,-.18,;5.88,.9,;7.37,.51,;5.48,2.39,;6.39,3.64,;5.48,4.88,;4.02,4.41,;2.69,5.18,;1.35,4.41,;1.35,2.87,;2.69,2.1,;2.69,.56,;1.35,-.21,;.02,.56,;-1.32,-.21,;-1.32,-1.75,;-2.65,-2.52,;.02,-2.52,;1.35,-1.75,;.02,-4.06,;1.35,-4.83,;-1.32,-4.83,;-1.32,-6.37,;-2.65,-7.14,;-3.98,-6.37,;-2.65,-8.68,;4.02,2.87,;.02,5.18,;.02,6.72,;-1.32,7.49,;-2.65,6.72,;-2.65,5.18,;-1.32,4.41,;-4.11,4.7,;-4.51,3.21,;-3.74,1.88,;-5.08,1.11,;-5.85,2.44,;-5.48,-.38,;-6.96,-.77,;-7.37,-2.28,;-6.27,-3.38,;-4.77,-2.98,;-4.36,-1.48,;-5.02,5.95,;-6.56,5.95,;-4.11,7.19,;-5.45,7.96,;-3.72,8.68,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529606
(US11203591, Example 21)Show SMILES CC(C)n1cnc2cc(nc(Nc3ccc(C)c(c3)C(=O)NC(C)C(F)F)c12)-c1ccc2c(c1)N([C@H]1C[C@H](C1)N1CCCCC1)C(=O)C2(C)C |r,wU:35.38,37.43,(4.79,-.18,;5.88,.9,;7.37,.51,;5.48,2.39,;6.39,3.64,;5.48,4.88,;4.02,4.41,;2.69,5.18,;1.35,4.41,;1.35,2.87,;2.69,2.1,;2.69,.56,;1.35,-.21,;.02,.56,;-1.32,-.21,;-1.32,-1.75,;-2.65,-2.52,;.02,-2.52,;1.35,-1.75,;.02,-4.06,;1.35,-4.83,;-1.32,-4.83,;-1.32,-6.37,;.02,-7.14,;-2.65,-7.14,;-3.98,-6.37,;-2.65,-8.68,;4.02,2.87,;.02,5.18,;.02,6.72,;-1.32,7.49,;-2.65,6.72,;-2.65,5.18,;-1.32,4.41,;-4.11,4.7,;-4.51,3.21,;-3.74,1.88,;-5.08,1.11,;-5.85,2.44,;-5.48,-.38,;-6.96,-.77,;-7.37,-2.28,;-6.27,-3.38,;-4.77,-2.98,;-4.36,-1.48,;-5.02,5.95,;-6.56,5.95,;-4.11,7.19,;-5.45,7.96,;-3.72,8.68,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM508895
(US11071730, Example 10)Show SMILES CC(C)n1cnc2cc(nc(Nc3ccncc3F)c12)-c1ccc2c(c1)N([C@@H]1C[C@@H](C1)N1C[C@H](C)[C@H](C)C1)C(=O)C21CCN(CC1)C(=O)C(C)(C)CO |r,wU:27.30,29.35,33.38,35.40,(5.73,-5.49,;6.5,-4.16,;8.04,-4.16,;5.73,-2.82,;6.63,-1.58,;5.73,-.33,;4.26,-.81,;2.93,-.04,;1.6,-.81,;1.6,-2.35,;2.93,-3.12,;2.93,-4.66,;1.6,-5.43,;1.6,-6.97,;.26,-7.74,;-1.07,-6.97,;-1.07,-5.43,;.26,-4.66,;.26,-3.12,;4.26,-2.35,;.26,-.04,;.26,1.5,;-1.07,2.27,;-2.4,1.5,;-2.4,-.04,;-1.07,-.81,;-3.87,-.51,;-4.27,-2,;-5.6,-2.77,;-4.83,-4.1,;-3.5,-3.33,;-5.23,-5.59,;-6.69,-6.07,;-6.69,-7.61,;-8.03,-8.38,;-5.23,-8.08,;-4.46,-9.42,;-4.32,-6.84,;-4.77,.73,;-6.31,.73,;-3.87,1.98,;-2.78,3.07,;-3.18,4.56,;-4.67,4.95,;-5.75,3.87,;-5.36,2.38,;-5.06,6.44,;-3.98,7.53,;-6.55,6.84,;-6.95,5.35,;-8.04,6.44,;-6.95,8.33,;-5.86,9.42,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Recombinant HPK1 kinase domain produced via baculovirus infection of insect cells was obtained from Proteros (Proteros Biostructures #PR-0322) and wa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RR22CJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM508909
(US11071730, Example 20B)Show SMILES CC(C)n1cnc2cc(nc(Nc3ccncc3F)c12)-c1ccc2c(c1)N([C@@H]1C[C@@H](C1)N1CCC(C)(C)C1)C(=O)C21CCN(CC1)C(=O)[C@@H]1CC[C@H](C)O1 |r,wU:27.30,29.35,wD:48.55,51.59,(6.43,-16.51,;7.46,-15.36,;8.97,-15.68,;6.99,-13.9,;7.89,-12.65,;6.99,-11.4,;5.52,-11.88,;4.19,-11.11,;2.85,-11.88,;2.85,-13.42,;4.19,-14.19,;4.19,-15.73,;2.85,-16.5,;2.85,-18.04,;1.52,-18.81,;.19,-18.04,;.19,-16.5,;1.52,-15.73,;1.52,-14.19,;5.52,-13.42,;1.52,-11.11,;1.52,-9.57,;.19,-8.8,;-1.15,-9.57,;-1.15,-11.11,;.19,-11.88,;-2.61,-11.59,;-3.09,-13.05,;-4.46,-13.75,;-3.76,-15.12,;-2.39,-14.42,;-4.24,-16.59,;-3.33,-17.83,;-4.24,-19.08,;-5.7,-18.6,;-7.23,-18.76,;-6.33,-20.01,;-5.7,-17.06,;-3.52,-10.34,;-5.06,-10.34,;-2.61,-9.09,;-1.58,-7.95,;-2.06,-6.49,;-3.56,-6.17,;-4.59,-7.31,;-4.12,-8.77,;-4.04,-4.7,;-3.01,-3.56,;-5.55,-4.38,;-6.58,-5.52,;-7.98,-4.9,;-7.82,-3.37,;-8.97,-2.34,;-6.32,-3.05,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Recombinant HPK1 kinase domain produced via baculovirus infection of insect cells was obtained from Proteros (Proteros Biostructures #PR-0322) and wa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RR22CJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529874
(US11203591, Example 280)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CC4)C(F)F)c(F)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1CCCCC1)C(=O)C2(C)C |(11.31,-2.5,;9.81,-2.18,;8.78,-3.32,;9.33,-.71,;10.23,.53,;9.33,1.78,;7.87,1.3,;6.53,2.07,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;6.53,-2.55,;5.2,-3.32,;5.2,-4.86,;3.86,-5.63,;3.86,-7.17,;5.2,-7.94,;2.53,-7.94,;2.53,-9.48,;4.05,-9.74,;3.06,-10.92,;1.01,-9.74,;.02,-8.56,;.49,-11.19,;2.53,-4.86,;1.2,-5.63,;2.53,-3.32,;1.2,-2.55,;3.86,-2.55,;3.86,-1.01,;7.87,-.24,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;1.2,2.07,;2.53,1.3,;-.27,1.6,;-.74,.13,;-.04,-1.24,;-1.42,-1.94,;-1.06,-3.44,;-2.12,-.57,;-2.59,-2.94,;-2.31,-4.45,;-3.48,-5.45,;-4.93,-4.94,;-5.21,-3.43,;-4.04,-2.43,;-1.17,2.84,;-2.71,2.84,;-.27,4.09,;.04,5.6,;-1.4,5.13,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529859
(US11203591, Example 265)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4CC4)c(Cl)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1CCCCC1)C(=O)C2(C)C |(11.31,-2.5,;9.81,-2.18,;8.78,-3.32,;9.33,-.71,;10.23,.53,;9.33,1.78,;7.87,1.3,;6.53,2.07,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;6.53,-2.55,;5.2,-3.32,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;1.2,-1.01,;-.14,-3.32,;-.14,-4.86,;.63,-6.19,;-.91,-6.19,;2.53,-4.86,;1.2,-5.63,;3.86,-5.63,;3.86,-7.17,;5.2,-4.86,;6.53,-5.63,;7.87,-.24,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;1.2,2.07,;2.53,1.3,;-.27,1.6,;-.74,.13,;-.04,-1.24,;-1.42,-1.94,;-1.06,-3.44,;-2.12,-.57,;-2.59,-2.94,;-2.31,-4.45,;-3.48,-5.45,;-4.93,-4.94,;-5.21,-3.43,;-4.04,-2.43,;-1.17,2.84,;-2.71,2.84,;-.27,4.09,;.04,5.6,;-1.4,5.13,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM509058
(US11071730, Example 165)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(F)ncc3F)c12)-c1ccc2c(c1)N(C1CC(C1)N1CCC(C)(C)C1)C(=O)C21CCN(CC1)C(=O)C1(C)COC1 |(11.59,-4.02,;10.07,-4.24,;9.5,-5.67,;9.11,-3.04,;9.53,-1.55,;8.24,-.7,;7.04,-1.66,;5.52,-1.4,;4.54,-2.59,;5.07,-4.03,;6.59,-4.29,;7.13,-5.73,;6.14,-6.92,;4.63,-6.66,;3.64,-7.85,;2.13,-7.59,;4.18,-9.29,;5.7,-9.55,;6.68,-8.36,;8.2,-8.62,;7.57,-3.1,;3.02,-2.33,;2.03,-3.51,;.52,-3.26,;-.02,-1.81,;.96,-.63,;2.48,-.88,;.14,.67,;.71,2.11,;.09,3.52,;1.51,4.13,;2.12,2.72,;2.07,5.56,;3.58,5.88,;3.74,7.41,;2.34,8.04,;2.01,9.55,;3.53,9.01,;1.3,6.9,;-1.35,.29,;-2.54,1.27,;-1.45,-1.25,;-1.39,-2.78,;-2.69,-3.61,;-4.05,-2.9,;-4.12,-1.36,;-2.82,-.53,;-5.35,-3.72,;-5.29,-5.26,;-6.72,-3.01,;-5.65,-1.89,;-8.02,-3.83,;-8.95,-2.15,;-7.49,-1.67,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Recombinant HPK1 kinase domain produced via baculovirus infection of insect cells was obtained from Proteros (Proteros Biostructures #PR-0322) and wa... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RR22CJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529865
(US11203591, Example 271)Show SMILES CCNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2cc3N(C4CC(C)(C4)N4CCCCC4)C(=O)C(C)(C)c3nc2F)c(F)c(F)c1C |(1.2,-10.25,;2.53,-9.48,;2.53,-7.94,;3.86,-7.17,;5.2,-7.94,;3.86,-5.63,;5.2,-4.86,;5.2,-3.32,;6.53,-2.55,;6.53,-1.01,;5.2,-.24,;5.2,1.3,;6.53,2.07,;7.87,1.3,;9.33,1.78,;10.23,.53,;9.33,-.71,;9.81,-2.18,;11.31,-2.5,;8.78,-3.32,;7.87,-.24,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-.74,.13,;-.04,-1.24,;-1.42,-1.94,;-1.06,-3.44,;-2.12,-.57,;-2.59,-2.94,;-2.31,-4.45,;-3.48,-5.45,;-4.93,-4.94,;-5.21,-3.43,;-4.04,-2.43,;-1.17,2.84,;-2.71,2.84,;-.27,4.09,;.04,5.6,;-1.4,5.13,;1.2,3.61,;2.53,4.38,;3.86,3.61,;5.2,4.38,;3.86,-2.55,;3.86,-1.01,;2.53,-3.32,;1.2,-2.55,;2.53,-4.86,;1.2,-5.63,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529869
(US11203591, Example 275)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NCC(F)F)c(Cl)c(F)c3F)c12)-c1ccc2c(c1)N(C(=O)C21CC1)C1(C)CC(C1)N1CCCCC1 |(-8.9,1.76,;-7.4,2.13,;-6.97,3.61,;-6.34,1.02,;-6.61,-.5,;-5.25,-1.23,;-4.14,-.16,;-2.6,-.28,;-1.74,1,;-2.41,2.38,;-3.94,2.5,;-4.61,3.89,;-3.75,5.16,;-4.42,6.55,;-3.55,7.82,;-4.22,9.21,;-3.35,10.48,;-5.75,9.32,;-6.42,10.71,;-7.96,10.82,;-8.63,12.21,;-8.83,9.55,;-2.01,7.7,;-1.15,8.98,;-1.34,6.32,;.19,6.2,;-2.21,5.04,;-1.54,3.66,;-4.81,1.23,;-.2,.88,;.66,2.16,;2.2,2.04,;2.87,.66,;2,-.62,;.47,-.5,;2.95,-1.83,;4.4,-1.31,;5.67,-2.18,;4.35,.23,;4.93,1.65,;5.87,.43,;2.52,-3.31,;3.99,-3.74,;2.08,-4.79,;.61,-4.36,;1.04,-2.88,;-.74,-5.1,;-.78,-6.64,;-2.13,-7.38,;-3.44,-6.58,;-3.41,-5.04,;-2.06,-4.3,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529870
(US11203591, Example 276)Show SMILES CCNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2ccc3c(c2)N(C2CC(C)(C2)N2CCCCC2)C(=O)C3(C)C)c(F)cc1C |(5.2,4.38,;6.53,3.61,;7.87,4.38,;7.87,5.92,;9.2,6.69,;6.53,6.69,;5.2,5.92,;3.86,6.69,;2.53,5.92,;2.53,4.38,;3.86,3.61,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;-.74,5.55,;-2.25,5.87,;.29,6.7,;1.2,3.61,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;7.87,-.24,;7.87,1.3,;6.53,2.07,;9.33,1.78,;9.81,3.24,;9.11,4.62,;10.48,5.31,;10.12,6.81,;11.18,3.94,;11.65,6.31,;11.37,7.83,;12.54,8.83,;13.99,8.32,;14.27,6.8,;13.1,5.8,;10.23,.53,;11.77,.53,;9.33,-.71,;8.7,-2.12,;10.66,-1.48,;3.86,8.23,;2.53,9,;5.2,9,;6.53,8.23,;7.87,9,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529811
(US11203591, Example 217)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NCC(F)F)c(C)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1CCCCC1)C(=O)C2(C)C |(11.31,-2.5,;9.81,-2.18,;8.78,-3.32,;9.33,-.71,;10.23,.53,;9.33,1.78,;7.87,1.3,;6.53,2.07,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;6.53,-2.55,;5.2,-3.32,;5.2,-4.86,;3.86,-5.63,;3.86,-7.17,;5.2,-7.94,;2.53,-7.94,;2.53,-9.48,;1.2,-10.25,;1.2,-11.79,;-.14,-9.48,;2.53,-4.86,;1.2,-5.63,;2.53,-3.32,;1.2,-2.55,;3.86,-2.55,;3.86,-1.01,;7.87,-.24,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;1.2,2.07,;2.53,1.3,;-.27,1.6,;-.74,.13,;-.04,-1.24,;-1.42,-1.94,;-1.06,-3.44,;-2.12,-.57,;-2.59,-2.94,;-2.31,-4.45,;-3.48,-5.45,;-4.93,-4.94,;-5.21,-3.43,;-4.04,-2.43,;-1.17,2.84,;-2.71,2.84,;-.27,4.09,;.04,5.6,;-1.4,5.13,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529812
(US11203591, Example 218)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(ccc3F)C(=O)NC3(CC3)C(F)F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1CCCCC1)C(=O)C2(C)C |(11.31,-2.5,;9.81,-2.18,;8.78,-3.32,;9.33,-.71,;10.23,.53,;9.33,1.78,;7.87,1.3,;6.53,2.07,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;6.53,-2.55,;5.2,-3.32,;5.2,-4.86,;3.86,-5.63,;2.53,-4.86,;2.53,-3.32,;3.86,-2.55,;3.86,-1.01,;3.86,-7.17,;2.53,-7.94,;5.2,-7.94,;5.2,-9.48,;3.68,-9.74,;4.67,-10.92,;6.71,-9.74,;7.7,-8.56,;7.24,-11.19,;7.87,-.24,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;1.2,2.07,;2.53,1.3,;-.27,1.6,;-.74,.13,;-.04,-1.24,;-1.42,-1.94,;-2.59,-2.94,;-2.12,-.57,;-1.06,-3.44,;.42,-3.87,;.78,-5.37,;-.34,-6.43,;-1.81,-5.99,;-2.17,-4.5,;-1.17,2.84,;-2.71,2.84,;-.27,4.09,;.04,5.6,;-1.4,5.13,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529816
(US11203591, Example 222)Show SMILES CCNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2cnc3c(c2)N(C2CC(C)(C2)N2CCCCC2)C(=O)C3(C)C)c(F)c(F)c1C |(11.87,6.69,;10.53,5.92,;9.2,6.69,;7.87,5.92,;7.87,4.38,;6.53,6.69,;5.2,5.92,;3.86,6.69,;2.53,5.92,;2.53,4.38,;3.86,3.61,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;-.74,5.55,;-2.25,5.87,;.29,6.7,;1.2,3.61,;5.2,1.3,;6.53,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;6.85,-2.51,;5.82,-3.66,;5.9,-5.2,;4.36,-5.28,;2.89,-5.71,;4.28,-3.74,;4.08,-6.79,;5.25,-7.79,;4.97,-9.3,;3.52,-9.82,;2.35,-8.82,;2.63,-7.3,;8.38,-2.67,;9.15,-4.01,;9.01,-1.27,;9.91,-.02,;10.34,-2.04,;3.86,8.23,;2.53,9,;5.2,9,;5.2,10.54,;6.53,8.23,;7.87,9,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529818
(US11203591, Example 224)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CC4)C(F)F)c(C)c(F)c3F)c12)-c1cnc2c(c1)N([C@H]1C[C@](C)(C1)N1CC3CCC1CO3)C(=O)C2(C)C |r,wU:38.42,wD:40.45,(5.01,-1.32,;6.1,-.23,;7.58,-.63,;5.62,1.24,;6.53,2.48,;5.62,3.73,;4.16,3.25,;2.82,4.02,;1.49,3.25,;1.49,1.71,;2.82,.94,;2.82,-.6,;1.49,-1.37,;1.49,-2.91,;.15,-3.68,;.15,-5.22,;-1.18,-5.99,;1.49,-5.99,;2.82,-5.22,;3.59,-3.88,;2.05,-3.88,;4.16,-5.99,;5.49,-5.22,;4.16,-7.53,;-1.18,-2.91,;-2.51,-3.68,;-1.18,-1.37,;-2.51,-.6,;.15,-.6,;.15,.94,;4.16,1.71,;.15,4.02,;.15,5.56,;-1.18,6.33,;-2.51,5.56,;-2.51,4.02,;-1.18,3.25,;-3.98,3.55,;-4.45,2.08,;-3.75,.71,;-5.13,.01,;-4.04,-1.08,;-5.83,1.38,;-5.6,-1.45,;-4.57,-2.6,;-5.05,-4.06,;-5.34,-3,;-6.84,-2.8,;-7.11,-1.77,;-7.58,-3.24,;-6.55,-4.38,;-4.88,4.79,;-6.42,4.79,;-3.98,6.04,;-4.38,7.53,;-2.89,7.13,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529732
(US11203591, Example 139)Show SMILES CC(C)CNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCCCC2)C(=O)C3(C)C)ccc1C |r,wU:30.32,32.37,(4.01,-7.53,;4.01,-5.99,;5.35,-5.22,;2.68,-5.22,;1.35,-5.99,;.01,-5.22,;-1.32,-5.99,;.01,-3.68,;1.35,-2.91,;1.35,-1.37,;2.68,-.6,;2.68,.94,;1.35,1.71,;1.35,3.25,;2.68,4.02,;4.01,3.25,;5.48,3.73,;6.38,2.48,;5.48,1.24,;5.88,-.25,;7.37,-.65,;4.79,-1.34,;4.01,1.71,;.01,4.02,;.01,5.56,;-1.32,6.33,;-2.65,5.56,;-2.65,4.02,;-1.32,3.25,;-4.12,3.55,;-4.52,2.06,;-3.75,.73,;-5.08,-.04,;-5.85,1.29,;-5.48,-1.53,;-6.97,-1.93,;-7.37,-3.42,;-6.28,-4.51,;-4.79,-4.11,;-4.39,-2.62,;-5.02,4.79,;-6.56,4.79,;-4.12,6.04,;-5.21,7.13,;-3.72,7.53,;.01,-.6,;-1.32,-1.37,;-1.32,-2.91,;-2.65,-3.68,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529736
(US11203591, Example 143)Show SMILES CCc1ccc(Nc2nc(cc3ncn(C(C)C)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCCCC2)C(=O)C3(C)C)cc1C(=O)NC |r,wU:26.28,28.33,(-3.99,-3.68,;-2.65,-4.45,;-1.32,-3.68,;-1.32,-2.14,;.01,-1.37,;1.35,-2.14,;2.68,-1.37,;2.68,.17,;1.35,.94,;1.35,2.48,;2.68,3.25,;4.01,2.48,;5.48,2.96,;6.38,1.71,;5.48,.47,;5.88,-1.02,;7.37,-1.42,;4.79,-2.11,;4.01,.94,;.01,3.25,;.01,4.79,;-1.32,5.56,;-2.65,4.79,;-2.65,3.25,;-1.32,2.48,;-4.12,2.78,;-4.52,1.29,;-3.75,-.04,;-5.08,-.81,;-5.85,.52,;-5.48,-2.3,;-6.97,-2.7,;-7.37,-4.19,;-6.28,-5.28,;-4.79,-4.88,;-4.39,-3.39,;-5.02,4.02,;-6.56,4.02,;-4.12,5.27,;-5.21,6.36,;-3.72,6.76,;1.35,-3.68,;.01,-4.45,;.01,-5.99,;-1.32,-6.76,;1.35,-6.76,;2.68,-5.99,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529747
(US11203591, Example 154)Show SMILES CNC(=O)c1cc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCCCC2)C(=O)C32CCN(CC2)C(=O)C23CC(F)(C2)C3)ccc1C |r,wU:27.30,29.35,(1.55,-10.87,;1.55,-9.33,;.21,-8.56,;-1.12,-9.33,;.21,-7.02,;1.55,-6.25,;1.55,-4.71,;2.88,-3.94,;2.88,-2.4,;1.55,-1.63,;1.55,-.09,;2.88,.68,;4.21,-.09,;5.68,.38,;6.58,-.86,;5.68,-2.11,;6.08,-3.6,;5.68,-5.08,;7.17,-4.69,;4.21,-1.63,;.21,.68,;.21,2.22,;-1.12,2.99,;-2.45,2.22,;-2.45,.68,;-1.12,-.09,;-3.92,.2,;-4.32,-1.29,;-3.55,-2.62,;-4.88,-3.39,;-5.65,-2.06,;-5.28,-4.88,;-6.77,-5.28,;-7.17,-6.76,;-6.08,-7.85,;-4.59,-7.45,;-4.19,-5.97,;-4.82,1.45,;-6.36,1.45,;-3.92,2.69,;-2.83,3.78,;-3.23,5.27,;-4.72,5.67,;-5.81,4.58,;-5.41,3.09,;-5.11,7.16,;-6.6,7.55,;-4.03,8.24,;-2.49,8.24,;-2.49,9.78,;-1.4,10.87,;-4.03,9.78,;-3.48,9.19,;.21,-3.94,;-1.12,-4.71,;-1.12,-6.25,;-2.45,-7.02,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529748
(US11203591, Example 155)Show SMILES CNC(=O)c1cc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCCCC2)C(=O)C32CCN(CC2)C(=O)C2CCC2)ccc1C |r,wU:27.30,29.35,(2.88,-8.79,;1.55,-9.56,;.21,-8.79,;-1.12,-9.56,;.21,-7.25,;1.55,-6.48,;1.55,-4.94,;2.88,-4.17,;2.88,-2.63,;1.55,-1.86,;1.55,-.32,;2.88,.45,;4.21,-.32,;5.68,.16,;6.58,-1.09,;5.68,-2.33,;6.08,-3.82,;5.68,-5.31,;7.17,-4.91,;4.21,-1.86,;.21,.45,;.21,1.99,;-1.12,2.76,;-2.45,1.99,;-2.45,.45,;-1.12,-.32,;-3.92,-.02,;-4.32,-1.51,;-3.55,-2.85,;-4.88,-3.62,;-5.65,-2.28,;-5.28,-5.1,;-6.77,-5.5,;-7.17,-6.99,;-6.08,-8.08,;-4.59,-7.68,;-4.19,-6.19,;-4.82,1.22,;-6.36,1.22,;-3.92,2.47,;-2.83,3.56,;-3.23,5.04,;-4.72,5.44,;-5.81,4.35,;-5.41,2.87,;-5.11,6.93,;-6.6,7.33,;-4.03,8.02,;-2.49,8.02,;-2.49,9.56,;-4.03,9.56,;.21,-4.17,;-1.12,-4.94,;-1.12,-6.48,;-2.45,-7.25,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529749
(US11203591, Example 156)Show SMILES CNC(=O)c1cc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCCCC2)C(=O)C32CCN(CC2)C(=O)C23CC(C2)C3)ccc1C |r,wU:27.30,29.35,(2.88,-8.79,;1.55,-9.56,;.21,-8.79,;-1.12,-9.56,;.21,-7.25,;1.55,-6.48,;1.55,-4.94,;2.88,-4.17,;2.88,-2.63,;1.55,-1.86,;1.55,-.32,;2.88,.45,;4.21,-.32,;5.68,.16,;6.58,-1.09,;5.68,-2.33,;6.08,-3.82,;5.68,-5.31,;7.17,-4.91,;4.21,-1.86,;.21,.45,;.21,1.99,;-1.12,2.76,;-2.45,1.99,;-2.45,.45,;-1.12,-.32,;-3.92,-.02,;-4.32,-1.51,;-3.55,-2.85,;-4.88,-3.62,;-5.65,-2.28,;-5.28,-5.1,;-6.77,-5.5,;-7.17,-6.99,;-6.08,-8.08,;-4.59,-7.68,;-4.19,-6.19,;-4.82,1.22,;-6.36,1.22,;-3.92,2.47,;-2.83,3.56,;-3.23,5.04,;-4.72,5.44,;-5.81,4.35,;-5.41,2.87,;-5.11,6.93,;-6.6,7.33,;-4.03,8.02,;-2.49,8.02,;-2.49,9.56,;-4.03,9.56,;-3.48,8.96,;.21,-4.17,;-1.12,-4.94,;-1.12,-6.48,;-2.45,-7.25,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529754
(US11203591, Example 161)Show SMILES CNC(=O)c1cc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCCC(C)(C)C2)C(=O)C32CCN(CC2)C(C)=O)ccc1C |r,wU:27.30,29.35,(3.62,-8.02,;2.29,-8.79,;.96,-8.02,;-.38,-8.79,;.96,-6.48,;2.29,-5.71,;2.29,-4.17,;3.62,-3.4,;3.62,-1.86,;2.29,-1.09,;2.29,.45,;3.62,1.22,;4.96,.45,;6.42,.93,;7.33,-.32,;6.42,-1.56,;6.82,-3.05,;6.42,-4.54,;7.91,-4.14,;4.96,-1.09,;.96,1.22,;.96,2.76,;-.38,3.53,;-1.71,2.76,;-1.71,1.22,;-.38,.45,;-3.18,.75,;-3.57,-.74,;-2.8,-2.08,;-4.14,-2.85,;-4.91,-1.51,;-4.54,-4.33,;-3.45,-5.42,;-3.85,-6.91,;-5.33,-7.31,;-6.42,-6.22,;-7.91,-5.82,;-7.19,-7.55,;-6.02,-4.73,;-4.08,1.99,;-5.62,1.99,;-3.18,3.24,;-2.09,4.33,;-2.48,5.81,;-3.97,6.21,;-5.06,5.12,;-4.66,3.64,;-4.37,7.7,;-5.86,8.1,;-3.28,8.79,;.96,-3.4,;-.38,-4.17,;-.38,-5.71,;-1.71,-6.48,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529787
(US11203591, Example 194)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CC4)C(F)F)c(C)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1CCCC3(CC3)C1)C(=O)C2(C)C | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529665
(US11203591, Example 77)Show SMILES CC(C)NC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2ccc3c(c2)N([C@@H]2C[C@@H](C2)N2C4CCC2COC4)C(=O)C32CCN(CC2)C(C)=O)c(F)cc1C |r,wU:29.31,31.36,(4.01,-8.79,;2.68,-8.02,;2.68,-6.48,;1.35,-8.79,;.01,-8.02,;-1.32,-8.79,;.01,-6.48,;1.35,-5.71,;1.35,-4.17,;2.68,-3.4,;2.68,-1.86,;1.35,-1.09,;1.35,.45,;2.68,1.22,;4.01,.45,;5.48,.93,;6.38,-.32,;5.48,-1.56,;5.88,-3.05,;4.79,-4.14,;7.37,-3.45,;4.01,-1.09,;.01,1.22,;.01,2.76,;-1.32,3.53,;-2.65,2.76,;-2.65,1.22,;-1.32,.45,;-4.12,.75,;-4.52,-.74,;-5.85,-1.51,;-5.08,-2.85,;-3.75,-2.08,;-5.48,-4.33,;-6.97,-4.73,;-6.57,-6.22,;-5.48,-6.51,;-4.39,-5.42,;-4.79,-6.91,;-6.28,-7.31,;-7.37,-6.22,;-5.02,1.99,;-6.56,1.99,;-4.12,3.24,;-3.03,4.33,;-3.43,5.81,;-4.92,6.21,;-6,5.12,;-5.61,3.64,;-5.31,7.7,;-4.23,8.79,;-6.8,8.1,;.01,-3.4,;.01,-1.86,;-1.32,-4.17,;-1.32,-5.71,;-2.65,-6.48,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529682
(US11203591, Example 94)Show SMILES CC(C)n1cnc2cc(nc(Nc3ccc(C)c(c3)C(=O)NC3CC3)c12)-c1ccc2c(c1)N([C@H]1C[C@H](C1)N1CCCCC1)C(=O)C21CCN(CC1)C(C)=O |r,wU:33.37,35.42,(4.79,-4.14,;5.88,-3.05,;7.37,-3.45,;5.48,-1.56,;6.38,-.32,;5.48,.93,;4.01,.45,;2.68,1.22,;1.35,.45,;1.35,-1.09,;2.68,-1.86,;2.68,-3.4,;1.35,-4.17,;.01,-3.4,;-1.32,-4.17,;-1.32,-5.71,;-2.65,-6.48,;.01,-6.48,;1.35,-5.71,;.01,-8.02,;-1.32,-8.79,;1.35,-8.79,;2.68,-8.02,;4.22,-8.02,;3.45,-6.69,;4.01,-1.09,;.01,1.22,;.01,2.76,;-1.32,3.53,;-2.65,2.76,;-2.65,1.22,;-1.32,.45,;-4.12,.75,;-4.52,-.74,;-3.75,-2.08,;-5.08,-2.85,;-5.85,-1.51,;-5.48,-4.33,;-6.97,-4.73,;-7.37,-6.22,;-6.28,-7.31,;-4.79,-6.91,;-4.39,-5.42,;-5.02,1.99,;-6.56,1.99,;-4.12,3.24,;-3.03,4.33,;-3.43,5.81,;-4.92,6.21,;-6,5.12,;-5.61,3.64,;-5.31,7.7,;-6.8,8.1,;-4.23,8.79,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529629
(US11203591, Example 42)Show SMILES CNC(=O)c1cc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@@H]2C[C@@H](C2)N2C[C@H]4CC[C@@H]2C4)C(=O)C32CCN(CC2)C(=O)C2COC2)ccc1C |r,wU:27.30,29.35,wD:36.42,33.43,(2.88,-8.79,;1.55,-9.56,;.22,-8.79,;-1.12,-9.56,;.22,-7.25,;1.55,-6.48,;1.55,-4.94,;2.88,-4.17,;2.88,-2.63,;1.55,-1.86,;1.55,-.32,;2.88,.45,;4.22,-.32,;5.68,.16,;6.59,-1.09,;5.68,-2.33,;6.08,-3.82,;5.68,-5.31,;7.17,-4.91,;4.22,-1.86,;.22,.45,;.22,1.99,;-1.12,2.76,;-2.45,1.99,;-2.45,.45,;-1.12,-.32,;-3.91,-.02,;-4.31,-1.51,;-5.65,-2.28,;-4.88,-3.62,;-3.54,-2.85,;-5.28,-5.1,;-4.16,-6.21,;-4.57,-7.71,;-6.07,-8.11,;-7.17,-7,;-6.76,-5.5,;-5.99,-6.84,;-4.82,1.22,;-6.36,1.22,;-3.91,2.47,;-2.83,3.56,;-3.22,5.04,;-4.71,5.44,;-5.8,4.35,;-5.4,2.87,;-5.11,6.93,;-6.6,7.33,;-4.02,8.02,;-2.48,8.02,;-2.48,9.56,;-4.02,9.56,;.22,-4.17,;-1.12,-4.94,;-1.12,-6.48,;-2.45,-7.25,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529860
(US11203591, Example 266)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NCC(F)F)c(C)cc3F)c12)-c1ccc2c(c1)N(C1CC(C)(C1)N1CCCCC1)C(=O)C2(C)C |(13.94,7.78,;12.91,6.63,;13.39,5.17,;11.4,6.95,;10.78,8.36,;9.25,8.2,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;10.26,4.38,;11.59,3.61,;11.59,2.07,;12.93,1.3,;12.93,-.24,;14.26,-1.01,;15.59,-.24,;14.26,-2.55,;15.59,-3.32,;15.59,-4.86,;16.93,-5.63,;14.26,-5.63,;11.59,-1.01,;11.59,-2.55,;10.26,-.24,;10.26,1.3,;8.93,2.07,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;3.59,3.61,;4.92,4.38,;2.13,4.09,;1.65,5.55,;.28,6.25,;.98,7.62,;1.34,9.12,;2.35,6.93,;-.19,8.62,;-1.65,8.11,;-2.82,9.11,;-2.54,10.63,;-1.08,11.14,;.09,10.14,;1.22,2.84,;-.32,2.84,;2.13,1.6,;2.43,.09,;.99,.55,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM529863
(US11203591, Example 269)Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NCC(F)F)c(C)c(F)c3F)c12)-c1cc2N(C3CC(C)(C3)N3CCCCC3)C(=O)C(C)(C)c2nc1F |(11.31,-2.5,;9.81,-2.18,;8.78,-3.32,;9.33,-.71,;10.23,.53,;9.33,1.78,;7.87,1.3,;6.53,2.07,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;6.53,-2.55,;5.2,-3.32,;5.2,-4.86,;3.86,-5.63,;3.86,-7.17,;5.2,-7.94,;2.53,-7.94,;2.53,-9.48,;1.2,-10.25,;1.2,-11.79,;-.14,-9.48,;2.53,-4.86,;1.2,-5.63,;2.53,-3.32,;1.2,-2.55,;3.86,-2.55,;3.86,-1.01,;7.87,-.24,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-.74,.13,;-.04,-1.24,;-1.42,-1.94,;-1.06,-3.44,;-2.12,-.57,;-2.59,-2.94,;-2.31,-4.45,;-3.48,-5.45,;-4.93,-4.94,;-5.21,-3.43,;-4.04,-2.43,;-1.17,2.84,;-2.71,2.84,;-.27,4.09,;.04,5.6,;-1.4,5.13,;1.2,3.61,;2.53,4.38,;3.86,3.61,;5.2,4.38,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2833W6Q |
More data for this
Ligand-Target Pair | |
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