Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50016940 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)) | 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
| Article
PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM519706
(US11142525, Example 107)Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CN)N2CCC[C@H]2C)C1=O |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598490
(CHEMBL5202032)Show SMILES CC(C)N1CCc2cc(Nc3cc4cc(c(F)cc4cn3)-c3cncc(N)c3C)nn2CC1=O | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM590938
(N-(8-amino-7-cyano-6-(4- methylpyridin-3-yl)isoqui...)Show SMILES Cc1ccncc1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)c1C#N | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598504
(CHEMBL5183178)Show SMILES Cc1c(CC#N)ccnc1-c1cccc(c1F)-c1cnc2NCC3(CC[C@](C)(C3)C(N)=O)c2c1Cl |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM590935
(N-(8-amino-6-(4-methylpyridin-3- yl)isoquinolin-3-...) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.391 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM503741
(N-(8-amino-6-(4-methylpyridin-3-yl)-2,7- naphthyri...) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598501
(CHEMBL5177877) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598505
(CHEMBL5187417)Show SMILES Cc1c(CC#N)ccnc1-c1cc(N)cc(c1)-c1cnc2NC[C@@]3(CC[C@@](C)(C3)C#N)c2c1Cl |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM519648
(US11142525, Example 49)Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)N1[C@@H](C)COC1=O)C1(C)CC1 |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598500
(CHEMBL5196939) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598502
(CHEMBL5201995) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM590941
(N-(8-amino-7-cyanoisoquinolin-3- yl)cyclopropaneca...) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM414624
(US10435405, Example 41 | US10934288, Example 41)Show SMILES COc1cccc(F)c1-c1cc2c(NCc3ccc(cc3)N3CCN(C)CC3)n[nH]c2cn1 Show InChI InChI=1S/C25H27FN6O/c1-31-10-12-32(13-11-31)18-8-6-17(7-9-18)15-28-25-19-14-21(27-16-22(19)29-30-25)24-20(26)4-3-5-23(24)33-2/h3-9,14,16H,10-13,15H2,1-2H3,(H2,28,29,30) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598499
(CHEMBL5199200) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598503
(CHEMBL5200631) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598494
(CHEMBL5171022)Show SMILES Cc1ccncc1-c1cc2cc(NC(=O)C=C3CC(C3)C#N)ncc2c(N)n1 |(5.62,-3.46,;6.96,-2.69,;8.29,-3.46,;9.62,-2.69,;9.62,-1.15,;8.29,-.38,;6.96,-1.15,;5.62,-.38,;4.29,-1.16,;2.96,-.38,;1.63,-1.15,;.29,-.39,;-1.04,-1.16,;-2.37,-.39,;-2.37,1.15,;-3.71,-1.16,;-5.04,-.39,;-6.55,-.79,;-6.95,.69,;-5.44,1.1,;-8.29,1.46,;-9.62,2.23,;.29,1.16,;1.63,1.93,;2.96,1.16,;4.29,1.92,;4.29,3.46,;5.62,1.15,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598492
(CHEMBL5205694)Show SMILES C[C@H]1CC(=O)c2ccc(Nc3cc4c(cnc(OC5CC5)c4cn3)[C@](C)(N)C3CC3)cc2C11CC1 |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM573156
(US11453681, Compound C1)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(F)c(cc23)-c2cnc3OCCNc3c2C)c1C | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM528020
(US11180482, Example I-2)Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.334 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM569865
((+/−)-{2-[(3,5-difluoro-4-{[3-(2-fluoro-4-me...)Show SMILES COc1ccc(-c2c[nH]c3nccc(Oc4c(F)cc(NC5=NCC(C)(CO)CO5)cc4F)c23)c(F)c1 |t:21| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598495
(CHEMBL5207610)Show SMILES C[C@H]1COC(=O)N1c1cc(N)c2nnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2c1 |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598496
(CHEMBL5206877)Show SMILES CN1CCc2c(C)cc(cc2C1)-c1cnc(N)c(OCc2ccnc(c2)C#Cc2cccc(F)c2)n1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598497
(CHEMBL5206785)Show SMILES Cn1cc(Nc2ncc(nc2C(N)=O)C2=CCC[C@H](C2)NC(=O)c2ccccc2)cn1 |r,t:15| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598510
(CHEMBL5176239)Show SMILES CN1CCC(C1)C(O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(N2CCN(C)CC2)c(C)c1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598509
(CHEMBL5203333)Show SMILES CN(C)C1CN(C1)C(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1cc(C)c(N2CCN(CC2)C2CCN(C)CC2)c(C)c1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM528051
(US11180482, Example II-3)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cc3CN(C)CCc3cc2OC)ncc1Cl | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM528046
(US11180482, Example I-27)Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(c(Nc2ccccc2P(C)(C)=O)n1)C(F)(F)F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM528020
(US11180482, Example I-2)Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598508
(CHEMBL5205475)Show SMILES CN(C)C(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2CCN(Cc2c1)[C@H]1CC[C@](C)(O)CC1 |r,wU:30.34,33.38,(-7.52,5.93,;-7.12,4.45,;-5.63,4.05,;-8.21,3.36,;-9.7,3.75,;-7.81,1.87,;-8.9,.78,;-8.5,-.7,;-7.02,-1.1,;-5.92,-.01,;-6.33,1.48,;-6.62,-2.59,;-7.52,-3.84,;-6.62,-5.08,;-5.15,-4.61,;-3.82,-5.37,;-2.5,-4.6,;-2.5,-3.07,;-3.82,-2.3,;-5.15,-3.07,;-1.17,-2.3,;-1.17,-.76,;.16,.01,;1.5,-.76,;2.82,.01,;4.15,-.75,;4.16,-2.29,;2.83,-3.06,;1.5,-2.29,;.17,-3.07,;5.49,-3.06,;6.82,-2.29,;8.16,-3.06,;8.16,-4.6,;9.7,-4.6,;8.93,-5.93,;6.82,-5.37,;5.49,-4.6,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598512
(CHEMBL5205962)Show SMILES COCCN(C)C(=O)c1ccc(cc1)-c1c[nH]c2ncc(nc12)-c1ccc(cc1)N1CCN(C)CC1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM528019
(US11180482, Example I-1)Show SMILES COc1cc2CN(C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598513
(CHEMBL5179285)Show SMILES C[C@H](O)CN(C)C(=O)c1ccc(cc1)-c1c[nH]c2ncc(nc12)-c1cc(C)c2CCN(CCN3CCOCC3)Cc2c1 |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598498
(CHEMBL5203070)Show SMILES CC(CO)CNC(=O)c1c[nH]c2ncc(cc12)-c1ccc(C2CCOCC2)c(CN(C)C)c1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598511
(CHEMBL5189318)Show SMILES [H][C@]12CCc3cc(cc(C)c3N1CCN(C)C2)-c1cnc2[nH]cc(-c3ccc(cc3)C(=O)N(C)C[C@H](C)O)c2c1 |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598506
(CHEMBL5202897)Show SMILES Fc1cc(NC(=O)NCCCN2CCOCC2)ccc1Oc1ccnc2[nH]cc(c12)C(F)(F)F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM519706
(US11142525, Example 107)Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CN)N2CCC[C@H]2C)C1=O |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50453461
(CHEMBL4213767)Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2sccc2[nH]c1=O Show InChI InChI=1S/C19H20N6OS/c1-24-5-7-25(8-6-24)11-2-3-12-14(10-11)22-18(21-12)15-16(20)17-13(4-9-27-17)23-19(15)26/h2-4,9-10H,5-8H2,1H3,(H,21,22)(H3,20,23,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50453461
(CHEMBL4213767)Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2sccc2[nH]c1=O Show InChI InChI=1S/C19H20N6OS/c1-24-5-7-25(8-6-24)11-2-3-12-14(10-11)22-18(21-12)15-16(20)17-13(4-9-27-17)23-19(15)26/h2-4,9-10H,5-8H2,1H3,(H,21,22)(H3,20,23,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50453462
(CHEMBL4214886)Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2ccsc2[nH]c1=O Show InChI InChI=1S/C19H20N6OS/c1-24-5-7-25(8-6-24)11-2-3-13-14(10-11)22-17(21-13)15-16(20)12-4-9-27-19(12)23-18(15)26/h2-4,9-10H,5-8H2,1H3,(H,21,22)(H3,20,23,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50453461
(CHEMBL4213767)Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2sccc2[nH]c1=O Show InChI InChI=1S/C19H20N6OS/c1-24-5-7-25(8-6-24)11-2-3-12-14(10-11)22-18(21-12)15-16(20)17-13(4-9-27-17)23-19(15)26/h2-4,9-10H,5-8H2,1H3,(H,21,22)(H3,20,23,26) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598515
(CHEMBL5197078)Show SMILES C\C(Nc1ccc(cn1)N1CCOCC1)=C1\C(=O)Nc2cnc(cc12)-c1cnccc1C | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598514
(CHEMBL5187411)Show SMILES CCN(CC)CCNC(=O)c1c[nH]c(\C=C2/C(=O)Nc3ccc(cc23)-c2c(F)cccc2OC)c1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598493
(CHEMBL5191087)Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(Cl)c(n1)N1CC(CO)c2ccccc12 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598520
(CHEMBL5174716)Show SMILES CN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2cccc(c2)C#CC(C)(C)O)c1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM528054
(US11180482, Example I-35)Show SMILES COc1cc2CCCN(C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM528020
(US11180482, Example I-2)Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598507
(CHEMBL5182913)Show SMILES CN(C)C(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2CCNCc2c1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM519648
(US11142525, Example 49)Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)N1[C@@H](C)COC1=O)C1(C)CC1 |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50598520
(CHEMBL5174716)Show SMILES CN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2cccc(c2)C#CC(C)(C)O)c1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0 |
More data for this
Ligand-Target Pair | |
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