Found 127 hits with Last Name = 'fourtounis' 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 |
|---|
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598850
(CHEMBL5196713)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(Cl)cnc12 |(.92,2.78,;1.81,1.93,;3.29,2.36,;4.41,1.3,;4.04,-.2,;4.93,-1.05,;2.56,-.63,;2.27,-1.83,;1.45,.43,;-.05,.11,;-.68,-1.3,;-.06,-2.36,;-2.21,-1.13,;-3.24,-2.28,;-4.44,-2.03,;-2.86,-3.45,;-2.53,.37,;-3.87,1.14,;-3.87,2.68,;-4.93,3.3,;-2.53,3.45,;-1.2,2.68,;-1.2,1.14,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598854
(CHEMBL5174684)Show SMILES Cc1cnc2n(c(N)c(C(N)=O)c2c1)-c1c(C)ccc(O)c1C |(-4.93,3.3,;-3.87,2.68,;-2.53,3.45,;-1.2,2.68,;-1.2,1.14,;-.05,.11,;-.68,-1.3,;-.06,-2.36,;-2.21,-1.13,;-3.24,-2.28,;-4.44,-2.03,;-2.86,-3.45,;-2.53,.37,;-3.87,1.14,;1.45,.43,;1.81,1.93,;.92,2.78,;3.29,2.36,;4.41,1.3,;4.04,-.2,;4.93,-1.05,;2.56,-.63,;2.27,-1.83,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598845
(CHEMBL5201803)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)C1CC1 |(3.4,-2.47,;3.69,-1.27,;5.17,-.84,;5.53,.66,;4.42,1.72,;4.71,2.92,;2.94,1.29,;2.05,2.14,;2.58,-.21,;1.07,-.53,;.45,-1.94,;1.06,-3.01,;-1.09,-1.78,;-2.11,-2.92,;-3.32,-2.67,;-1.73,-4.1,;-1.4,-.27,;-2.74,.5,;-2.74,2.04,;-1.4,2.81,;-.07,2.04,;-.07,.5,;-4.07,2.81,;-5.53,2.81,;-4.76,4.1,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598851
(CHEMBL5199076)Show SMILES Cc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C |(-4.93,2.68,;-3.87,2.07,;-3.87,.52,;-2.53,-.25,;-2.21,-1.75,;-3.24,-2.9,;-4.44,-2.64,;-2.86,-4.07,;-.68,-1.91,;-.06,-2.98,;-.05,-.5,;1.45,-.18,;1.81,1.31,;.92,2.16,;3.29,1.75,;4.41,.68,;4.04,-.81,;4.93,-1.66,;2.56,-1.25,;2.27,-2.44,;-1.2,.52,;-1.2,2.07,;-2.53,2.84,;-2.53,4.07,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598835
(CHEMBL5169345)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(-c4ccnn4C)c3nc12 |(2.67,-4.15,;2.96,-2.95,;4.44,-2.52,;4.8,-1.03,;3.69,.04,;3.98,1.24,;2.21,-.39,;1.32,.45,;1.85,-1.89,;.34,-2.21,;-.28,-3.62,;.33,-4.69,;-1.81,-3.46,;-2.84,-4.61,;-4.05,-4.35,;-2.46,-5.78,;-2.13,-1.95,;-3.47,-1.18,;-3.47,.36,;-4.8,1.13,;-4.8,2.67,;-3.47,3.44,;-2.13,2.67,;-.8,3.44,;.59,2.8,;1.62,3.94,;.85,5.27,;-.66,4.96,;-1.58,5.78,;-2.13,1.13,;-.8,.36,;-.8,-1.18,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598830
(CHEMBL5186220)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(Br)c3nc12 |(2.67,-2.98,;2.96,-1.78,;4.44,-1.35,;4.8,.14,;3.69,1.21,;3.98,2.41,;2.21,.78,;1.32,1.63,;1.85,-.72,;.34,-1.04,;-.28,-2.45,;.33,-3.52,;-1.81,-2.29,;-2.84,-3.43,;-4.05,-3.18,;-2.46,-4.61,;-2.13,-.78,;-3.47,-.01,;-3.47,1.53,;-4.8,2.3,;-4.8,3.84,;-3.47,4.61,;-2.13,3.84,;-1.07,4.45,;-2.13,2.3,;-.8,1.53,;-.8,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598855
(CHEMBL5190904)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(cnc12)C1CC1 |(1.78,2.14,;2.68,1.29,;4.15,1.72,;5.27,.66,;4.9,-.84,;5.8,-1.69,;3.43,-1.27,;3.13,-2.47,;2.32,-.21,;.81,-.53,;.18,-1.94,;.8,-3.01,;-1.35,-1.78,;-2.38,-2.92,;-3.58,-2.67,;-1.99,-4.09,;-1.67,-.27,;-3,.5,;-3,2.04,;-1.67,2.81,;-.33,2.04,;-.33,.5,;-4.34,2.81,;-5.8,2.81,;-5.03,4.09,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598836
(CHEMBL5190822)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(C4=CCCC4)c3nc12 |t:24,(2.67,-3.9,;2.96,-2.7,;4.44,-2.27,;4.8,-.77,;3.69,.29,;3.98,1.49,;2.21,-.14,;1.32,.71,;1.85,-1.64,;.34,-1.96,;-.28,-3.37,;.33,-4.44,;-1.81,-3.21,;-2.84,-4.35,;-4.05,-4.1,;-2.46,-5.53,;-2.13,-1.7,;-3.47,-.93,;-3.47,.61,;-4.8,1.38,;-4.8,2.92,;-3.47,3.69,;-2.13,2.92,;-.8,3.69,;-.66,5.21,;.85,5.53,;1.62,4.19,;.59,3.05,;-2.13,1.38,;-.8,.61,;-.8,-.93,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598832
(CHEMBL5185146)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cc(Br)ccc3nc12 |(3.2,-2.98,;3.49,-1.78,;4.97,-1.35,;5.34,.14,;4.22,1.21,;4.51,2.41,;2.74,.78,;1.85,1.63,;2.38,-.72,;.88,-1.04,;.25,-2.45,;.87,-3.52,;-1.28,-2.29,;-2.31,-3.43,;-3.51,-3.18,;-1.93,-4.61,;-1.6,-.78,;-2.93,-.01,;-2.93,1.53,;-4.27,2.3,;-4.27,3.84,;-5.34,4.45,;-2.93,4.61,;-1.6,3.84,;-1.6,2.3,;-.27,1.53,;-.27,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598833
(CHEMBL5181222)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(Br)cccc3nc12 |(3.2,-2.98,;3.49,-1.78,;4.97,-1.35,;5.34,.14,;4.22,1.21,;4.51,2.41,;2.74,.78,;1.85,1.63,;2.38,-.72,;.88,-1.04,;.25,-2.45,;.87,-3.52,;-1.28,-2.29,;-2.31,-3.43,;-3.51,-3.18,;-1.93,-4.61,;-1.6,-.78,;-2.93,-.01,;-2.93,1.53,;-4.27,2.3,;-5.34,1.68,;-4.27,3.84,;-2.93,4.61,;-1.6,3.84,;-1.6,2.3,;-.27,1.53,;-.27,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598838
(CHEMBL5172086)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cc(ccc3nc12)-c1ccnn1C |(4.54,-3.9,;4.84,-2.71,;6.31,-2.27,;6.68,-.78,;5.56,.29,;5.86,1.48,;4.09,-.15,;3.19,.7,;3.73,-1.65,;2.22,-1.97,;1.59,-3.37,;2.21,-4.44,;.06,-3.21,;-.97,-4.36,;-2.17,-4.1,;-.58,-5.53,;-.26,-1.71,;-1.59,-.94,;-1.59,.6,;-2.93,1.37,;-2.93,2.91,;-1.59,3.68,;-.26,2.91,;-.26,1.37,;1.07,.6,;1.07,-.94,;-4.26,3.68,;-4.4,5.21,;-5.91,5.53,;-6.68,4.2,;-5.65,3.05,;-5.9,1.84,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598834
(CHEMBL5198360)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(C#N)c3nc12 |(2.67,-3.29,;2.96,-2.09,;4.44,-1.66,;4.8,-.16,;3.69,.9,;3.98,2.1,;2.21,.47,;1.32,1.32,;1.85,-1.03,;.34,-1.35,;-.28,-2.76,;.33,-3.83,;-1.81,-2.6,;-2.84,-3.74,;-4.05,-3.49,;-2.46,-4.91,;-2.13,-1.09,;-3.47,-.32,;-3.47,1.22,;-4.8,1.99,;-4.8,3.53,;-3.47,4.3,;-2.13,3.53,;-.8,4.3,;.27,4.91,;-2.13,1.99,;-.8,1.22,;-.8,-.32,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598855
(CHEMBL5190904)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(cnc12)C1CC1 |(1.78,2.14,;2.68,1.29,;4.15,1.72,;5.27,.66,;4.9,-.84,;5.8,-1.69,;3.43,-1.27,;3.13,-2.47,;2.32,-.21,;.81,-.53,;.18,-1.94,;.8,-3.01,;-1.35,-1.78,;-2.38,-2.92,;-3.58,-2.67,;-1.99,-4.09,;-1.67,-.27,;-3,.5,;-3,2.04,;-1.67,2.81,;-.33,2.04,;-.33,.5,;-4.34,2.81,;-5.8,2.81,;-5.03,4.09,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598820
(CHEMBL5191665)Show SMILES Cc1ccc(O)c(Cl)c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(2.67,-2.98,;2.96,-1.78,;4.44,-1.35,;4.8,.14,;3.69,1.21,;3.98,2.41,;2.21,.78,;1.32,1.63,;1.85,-.72,;.34,-1.04,;-.28,-2.45,;.33,-3.52,;-1.81,-2.29,;-2.84,-3.43,;-4.05,-3.18,;-2.46,-4.61,;-2.13,-.78,;-3.47,-.01,;-3.47,1.53,;-4.8,2.3,;-4.8,3.84,;-3.47,4.61,;-2.13,3.84,;-2.13,2.3,;-.8,1.53,;-.8,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598831
(CHEMBL5195417)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3ccc(Br)cc3nc12 |(2.67,-3.6,;2.96,-2.4,;4.44,-1.97,;4.8,-.47,;3.69,.59,;3.98,1.79,;2.21,.16,;1.32,1.01,;1.85,-1.34,;.34,-1.66,;-.28,-3.07,;.33,-4.13,;-1.81,-2.91,;-2.84,-4.05,;-4.05,-3.8,;-2.46,-5.22,;-2.13,-1.4,;-3.47,-.63,;-3.47,.91,;-4.8,1.68,;-4.8,3.22,;-3.47,3.99,;-3.47,5.22,;-2.13,3.22,;-2.13,1.68,;-.8,.91,;-.8,-.63,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598837
(CHEMBL5187022)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cc(ccc3nc12)C#N |(3.87,-3.29,;4.16,-2.09,;5.64,-1.66,;6,-.16,;4.89,.9,;5.18,2.1,;3.41,.47,;2.52,1.32,;3.05,-1.03,;1.54,-1.35,;.92,-2.76,;1.53,-3.83,;-.61,-2.6,;-1.64,-3.74,;-2.85,-3.49,;-1.26,-4.91,;-.93,-1.09,;-2.27,-.32,;-2.27,1.22,;-3.6,1.99,;-3.6,3.53,;-2.27,4.3,;-.93,3.53,;-.93,1.99,;.4,1.22,;.4,-.32,;-4.94,4.3,;-6,4.91,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598839
(CHEMBL5184178)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cc(ccc3nc12)C1=CCCC1 |t:30,(4.54,-3.9,;4.84,-2.71,;6.31,-2.27,;6.68,-.78,;5.56,.29,;5.86,1.48,;4.09,-.15,;3.19,.7,;3.73,-1.64,;2.22,-1.97,;1.59,-3.37,;2.21,-4.44,;.06,-3.21,;-.97,-4.36,;-2.17,-4.1,;-.58,-5.53,;-.26,-1.71,;-1.59,-.94,;-1.59,.6,;-2.93,1.37,;-2.93,2.91,;-1.59,3.68,;-.26,2.91,;-.26,1.37,;1.07,.6,;1.07,-.94,;-4.26,3.68,;-5.65,3.05,;-6.68,4.2,;-5.91,5.53,;-4.4,5.21,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598840
(CHEMBL5199806)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(cccc3nc12)C#N |(3.87,-2.98,;4.16,-1.78,;5.64,-1.35,;6,.14,;4.89,1.21,;5.18,2.41,;3.41,.78,;2.52,1.63,;3.05,-.72,;1.54,-1.04,;.92,-2.45,;1.53,-3.52,;-.61,-2.29,;-1.64,-3.43,;-2.85,-3.18,;-1.26,-4.61,;-.93,-.78,;-2.27,-.01,;-2.27,1.53,;-3.6,2.3,;-3.6,3.84,;-2.27,4.61,;-.93,3.84,;-.93,2.3,;.4,1.53,;.4,-.01,;-4.94,1.53,;-6,.91,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598844
(CHEMBL5200005)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C)c(C)nc12 |(2.54,-2.44,;2.83,-1.24,;4.31,-.81,;4.67,.68,;3.56,1.75,;3.85,2.95,;2.08,1.31,;1.18,2.16,;1.72,-.18,;.21,-.5,;-.42,-1.91,;.2,-2.98,;-1.95,-1.75,;-2.98,-2.9,;-4.18,-2.64,;-2.59,-4.07,;-2.27,-.25,;-3.6,.52,;-3.6,2.07,;-4.67,2.68,;-2.27,2.84,;-2.27,4.07,;-.93,2.07,;-.93,.52,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598841
(CHEMBL5196095)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(cccc3nc12)-c1ccnn1C |(4.54,-2.98,;4.84,-1.78,;6.31,-1.35,;6.68,.14,;5.56,1.21,;5.86,2.41,;4.09,.78,;3.19,1.63,;3.73,-.72,;2.22,-1.04,;1.59,-2.45,;2.21,-3.52,;.06,-2.29,;-.97,-3.43,;-2.17,-3.18,;-.58,-4.61,;-.26,-.78,;-1.59,-.01,;-1.59,1.53,;-2.93,2.3,;-2.93,3.84,;-1.59,4.61,;-.26,3.84,;-.26,2.3,;1.08,1.53,;1.08,-.01,;-4.26,1.53,;-5.65,2.17,;-6.68,1.02,;-5.91,-.31,;-4.4,.01,;-3.48,-.81,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598856
(CHEMBL5174072)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(Cl)c(C)nc12 |(.92,2.16,;1.81,1.31,;3.29,1.75,;4.41,.68,;4.04,-.81,;4.93,-1.66,;2.56,-1.25,;2.27,-2.44,;1.45,-.18,;-.05,-.5,;-.68,-1.91,;-.06,-2.98,;-2.21,-1.75,;-3.24,-2.9,;-4.44,-2.64,;-2.86,-4.07,;-2.53,-.25,;-3.87,.52,;-3.87,2.06,;-4.93,2.68,;-2.53,2.84,;-2.53,4.07,;-1.2,2.06,;-1.2,.52,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 3
(Homo sapiens (Human)) | BDBM50100316
(CHEMBL3321809)Show SMILES Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(9.45,-34.75,;10.95,-35.07,;11.43,-36.54,;12.94,-36.86,;13.97,-35.71,;15.47,-36.03,;13.49,-34.25,;11.98,-33.93,;11.51,-32.46,;12.41,-31.22,;13.95,-31.22,;11.51,-29.97,;11.98,-28.51,;13.47,-28.11,;10.95,-27.36,;10.04,-30.45,;8.71,-29.68,;7.38,-30.45,;6.04,-29.68,;4.71,-30.45,;4.71,-31.99,;6.04,-32.76,;7.38,-31.99,;8.71,-32.76,;10.04,-31.99,)| Show InChI InChI=1S/C18H15N5O2/c1-9-6-7-10(24)8-13(9)23-16(19)14(17(20)25)15-18(23)22-12-5-3-2-4-11(12)21-15/h2-8,24H,19H2,1H3,(H2,20,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 3
(Homo sapiens (Human)) | BDBM50598829
(CHEMBL5203261)Show SMILES Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2cc3ccccc3nc12 |(2.67,-2.98,;2.96,-1.78,;4.44,-1.35,;4.8,.14,;3.69,1.21,;3.98,2.41,;2.21,.78,;1.85,-.72,;.34,-1.04,;-.28,-2.45,;.33,-3.52,;-1.81,-2.29,;-2.84,-3.43,;-4.05,-3.18,;-2.46,-4.61,;-2.13,-.78,;-3.47,-.01,;-3.47,1.53,;-4.8,2.3,;-4.8,3.84,;-3.47,4.61,;-2.13,3.84,;-2.13,2.3,;-.8,1.53,;-.8,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 3
(Homo sapiens (Human)) | BDBM50598820
(CHEMBL5191665)Show SMILES Cc1ccc(O)c(Cl)c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(2.67,-2.98,;2.96,-1.78,;4.44,-1.35,;4.8,.14,;3.69,1.21,;3.98,2.41,;2.21,.78,;1.32,1.63,;1.85,-.72,;.34,-1.04,;-.28,-2.45,;.33,-3.52,;-1.81,-2.29,;-2.84,-3.43,;-4.05,-3.18,;-2.46,-4.61,;-2.13,-.78,;-3.47,-.01,;-3.47,1.53,;-4.8,2.3,;-4.8,3.84,;-3.47,4.61,;-2.13,3.84,;-2.13,2.3,;-.8,1.53,;-.8,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598842
(CHEMBL5176413)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(cccc3nc12)C1=CCCC1 |t:30,(4.55,-2.98,;4.84,-1.78,;6.31,-1.35,;6.68,.14,;5.56,1.21,;5.86,2.41,;4.09,.78,;3.19,1.63,;3.73,-.72,;2.22,-1.04,;1.59,-2.45,;2.21,-3.52,;.06,-2.29,;-.97,-3.44,;-2.17,-3.18,;-.58,-4.61,;-.26,-.78,;-1.59,-.01,;-1.59,1.53,;-2.93,2.3,;-2.93,3.84,;-1.59,4.61,;-.26,3.84,;-.26,2.3,;1.08,1.53,;1.08,-.01,;-4.26,1.53,;-4.4,.01,;-5.91,-.31,;-6.68,1.02,;-5.65,2.17,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598822
(CHEMBL5177087)Show SMILES NC(=O)c1c(N)n(-c2c(Cl)ccc(O)c2Cl)c2nc3ccccc3nc12 |(-4.05,-3.18,;-2.84,-3.44,;-2.46,-4.61,;-1.81,-2.29,;-.28,-2.45,;.33,-3.52,;.34,-1.04,;1.85,-.72,;2.96,-1.78,;2.67,-2.98,;4.44,-1.35,;4.8,.14,;3.69,1.21,;3.98,2.41,;2.21,.78,;1.32,1.63,;-.8,-.01,;-.8,1.53,;-2.13,2.3,;-2.13,3.84,;-3.47,4.61,;-4.8,3.84,;-4.8,2.3,;-3.47,1.53,;-3.47,-.01,;-2.13,-.78,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598810
(CHEMBL5202826)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(2.67,-2.98,;2.96,-1.78,;4.44,-1.35,;4.8,.14,;3.69,1.21,;3.98,2.41,;2.21,.78,;1.32,1.63,;1.85,-.72,;.34,-1.04,;-.28,-2.45,;.33,-3.52,;-1.81,-2.29,;-2.84,-3.43,;-4.05,-3.18,;-2.46,-4.61,;-2.13,-.78,;-3.47,-.01,;-3.47,1.53,;-4.8,2.3,;-4.8,3.84,;-3.47,4.61,;-2.13,3.84,;-2.13,2.3,;-.8,1.53,;-.8,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598833
(CHEMBL5181222)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(Br)cccc3nc12 |(3.2,-2.98,;3.49,-1.78,;4.97,-1.35,;5.34,.14,;4.22,1.21,;4.51,2.41,;2.74,.78,;1.85,1.63,;2.38,-.72,;.88,-1.04,;.25,-2.45,;.87,-3.52,;-1.28,-2.29,;-2.31,-3.43,;-3.51,-3.18,;-1.93,-4.61,;-1.6,-.78,;-2.93,-.01,;-2.93,1.53,;-4.27,2.3,;-5.34,1.68,;-4.27,3.84,;-2.93,4.61,;-1.6,3.84,;-1.6,2.3,;-.27,1.53,;-.27,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598821
(CHEMBL5202444)Show SMILES Cc1c(O)ccc(Cl)c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(1.32,1.63,;2.21,.78,;3.69,1.21,;3.98,2.41,;4.8,.14,;4.44,-1.35,;2.96,-1.78,;2.67,-2.98,;1.85,-.72,;.34,-1.04,;-.28,-2.45,;.33,-3.52,;-1.81,-2.29,;-2.84,-3.43,;-4.05,-3.18,;-2.46,-4.61,;-2.13,-.78,;-3.47,-.01,;-3.47,1.53,;-4.8,2.3,;-4.8,3.84,;-3.47,4.61,;-2.13,3.84,;-2.13,2.3,;-.8,1.53,;-.8,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598808
(CHEMBL5193896)Show SMILES Cc1c(O)cccc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(2.4,-2.98,;2.7,-1.78,;4.17,-1.35,;5.07,-2.2,;4.54,.14,;3.42,1.21,;1.95,.78,;1.59,-.72,;.08,-1.04,;-.55,-2.45,;.07,-3.52,;-2.08,-2.29,;-3.11,-3.44,;-4.31,-3.18,;-2.72,-4.61,;-2.4,-.78,;-3.73,-.01,;-3.73,1.53,;-5.07,2.3,;-5.07,3.84,;-3.73,4.61,;-2.4,3.84,;-2.4,2.3,;-1.06,1.53,;-1.06,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598826
(CHEMBL5184635)Show SMILES Cc1ccc(O)c(C)c1-n1cc(C(N)=O)c2nc3ccccc3nc12 |(2.67,-2.98,;2.96,-1.78,;4.44,-1.35,;4.8,.15,;3.69,1.21,;3.98,2.41,;2.21,.78,;1.32,1.63,;1.85,-.72,;.34,-1.04,;-.28,-2.45,;-1.81,-2.29,;-2.84,-3.43,;-4.05,-3.18,;-2.46,-4.61,;-2.13,-.78,;-3.47,-.01,;-3.47,1.53,;-4.8,2.3,;-4.8,3.84,;-3.47,4.61,;-2.13,3.84,;-2.13,2.3,;-.8,1.53,;-.8,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598843
(CHEMBL5208938)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nccnc12 |(2.29,-1.88,;2.58,-.68,;4.06,-.25,;4.42,1.25,;3.31,2.31,;3.6,3.51,;1.83,1.88,;.94,2.73,;1.47,.38,;-.03,.06,;-.66,-1.35,;-.04,-2.42,;-2.19,-1.19,;-3.22,-2.33,;-4.42,-2.08,;-2.84,-3.51,;-2.51,.32,;-3.85,1.09,;-3.85,2.63,;-2.51,3.4,;-1.18,2.63,;-1.18,1.09,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598829
(CHEMBL5203261)Show SMILES Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2cc3ccccc3nc12 |(2.67,-2.98,;2.96,-1.78,;4.44,-1.35,;4.8,.14,;3.69,1.21,;3.98,2.41,;2.21,.78,;1.85,-.72,;.34,-1.04,;-.28,-2.45,;.33,-3.52,;-1.81,-2.29,;-2.84,-3.43,;-4.05,-3.18,;-2.46,-4.61,;-2.13,-.78,;-3.47,-.01,;-3.47,1.53,;-4.8,2.3,;-4.8,3.84,;-3.47,4.61,;-2.13,3.84,;-2.13,2.3,;-.8,1.53,;-.8,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598851
(CHEMBL5199076)Show SMILES Cc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C |(-4.93,2.68,;-3.87,2.07,;-3.87,.52,;-2.53,-.25,;-2.21,-1.75,;-3.24,-2.9,;-4.44,-2.64,;-2.86,-4.07,;-.68,-1.91,;-.06,-2.98,;-.05,-.5,;1.45,-.18,;1.81,1.31,;.92,2.16,;3.29,1.75,;4.41,.68,;4.04,-.81,;4.93,-1.66,;2.56,-1.25,;2.27,-2.44,;-1.2,.52,;-1.2,2.07,;-2.53,2.84,;-2.53,4.07,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598850
(CHEMBL5196713)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(Cl)cnc12 |(.92,2.78,;1.81,1.93,;3.29,2.36,;4.41,1.3,;4.04,-.2,;4.93,-1.05,;2.56,-.63,;2.27,-1.83,;1.45,.43,;-.05,.11,;-.68,-1.3,;-.06,-2.36,;-2.21,-1.13,;-3.24,-2.28,;-4.44,-2.03,;-2.86,-3.45,;-2.53,.37,;-3.87,1.14,;-3.87,2.68,;-4.93,3.3,;-2.53,3.45,;-1.2,2.68,;-1.2,1.14,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Ephrin type-B receptor 3
(Homo sapiens (Human)) | BDBM50598810
(CHEMBL5202826)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(2.67,-2.98,;2.96,-1.78,;4.44,-1.35,;4.8,.14,;3.69,1.21,;3.98,2.41,;2.21,.78,;1.32,1.63,;1.85,-.72,;.34,-1.04,;-.28,-2.45,;.33,-3.52,;-1.81,-2.29,;-2.84,-3.43,;-4.05,-3.18,;-2.46,-4.61,;-2.13,-.78,;-3.47,-.01,;-3.47,1.53,;-4.8,2.3,;-4.8,3.84,;-3.47,4.61,;-2.13,3.84,;-2.13,2.3,;-.8,1.53,;-.8,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598833
(CHEMBL5181222)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(Br)cccc3nc12 |(3.2,-2.98,;3.49,-1.78,;4.97,-1.35,;5.34,.14,;4.22,1.21,;4.51,2.41,;2.74,.78,;1.85,1.63,;2.38,-.72,;.88,-1.04,;.25,-2.45,;.87,-3.52,;-1.28,-2.29,;-2.31,-3.43,;-3.51,-3.18,;-1.93,-4.61,;-1.6,-.78,;-2.93,-.01,;-2.93,1.53,;-4.27,2.3,;-5.34,1.68,;-4.27,3.84,;-2.93,4.61,;-1.6,3.84,;-1.6,2.3,;-.27,1.53,;-.27,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598833
(CHEMBL5181222)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(Br)cccc3nc12 |(3.2,-2.98,;3.49,-1.78,;4.97,-1.35,;5.34,.14,;4.22,1.21,;4.51,2.41,;2.74,.78,;1.85,1.63,;2.38,-.72,;.88,-1.04,;.25,-2.45,;.87,-3.52,;-1.28,-2.29,;-2.31,-3.43,;-3.51,-3.18,;-1.93,-4.61,;-1.6,-.78,;-2.93,-.01,;-2.93,1.53,;-4.27,2.3,;-5.34,1.68,;-4.27,3.84,;-2.93,4.61,;-1.6,3.84,;-1.6,2.3,;-.27,1.53,;-.27,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598846
(CHEMBL5179743)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)C(C)(C)O |(3.2,-2.6,;3.49,-1.4,;4.97,-.97,;5.34,.53,;4.22,1.59,;4.51,2.79,;2.74,1.16,;1.85,2.01,;2.38,-.34,;.88,-.66,;.25,-2.07,;.87,-3.13,;-1.28,-1.9,;-2.31,-3.05,;-3.51,-2.8,;-1.93,-4.22,;-1.6,-.4,;-2.93,.37,;-2.93,1.91,;-1.6,2.68,;-.27,1.91,;-.27,.37,;-4.27,2.68,;-5.34,2.07,;-4.27,4.22,;-5.34,3.3,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598854
(CHEMBL5174684)Show SMILES Cc1cnc2n(c(N)c(C(N)=O)c2c1)-c1c(C)ccc(O)c1C |(-4.93,3.3,;-3.87,2.68,;-2.53,3.45,;-1.2,2.68,;-1.2,1.14,;-.05,.11,;-.68,-1.3,;-.06,-2.36,;-2.21,-1.13,;-3.24,-2.28,;-4.44,-2.03,;-2.86,-3.45,;-2.53,.37,;-3.87,1.14,;1.45,.43,;1.81,1.93,;.92,2.78,;3.29,2.36,;4.41,1.3,;4.04,-.2,;4.93,-1.05,;2.56,-.63,;2.27,-1.83,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598847
(CHEMBL5200849)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)N1CCOCC1 |(4,-2.98,;4.3,-1.78,;5.77,-1.35,;6.14,.15,;5.02,1.21,;5.32,2.41,;3.55,.78,;2.65,1.63,;3.19,-.72,;1.68,-1.04,;1.05,-2.45,;1.67,-3.52,;-.48,-2.29,;-1.51,-3.43,;-2.71,-3.18,;-1.12,-4.61,;-.8,-.78,;-2.13,-.01,;-2.13,1.53,;-.8,2.3,;.53,1.53,;.53,-.01,;-3.47,2.3,;-4.8,1.53,;-6.14,2.29,;-6.14,3.83,;-4.81,4.61,;-3.47,3.84,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598846
(CHEMBL5179743)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)C(C)(C)O |(3.2,-2.6,;3.49,-1.4,;4.97,-.97,;5.34,.53,;4.22,1.59,;4.51,2.79,;2.74,1.16,;1.85,2.01,;2.38,-.34,;.88,-.66,;.25,-2.07,;.87,-3.13,;-1.28,-1.9,;-2.31,-3.05,;-3.51,-2.8,;-1.93,-4.22,;-1.6,-.4,;-2.93,.37,;-2.93,1.91,;-1.6,2.68,;-.27,1.91,;-.27,.37,;-4.27,2.68,;-5.34,2.07,;-4.27,4.22,;-5.34,3.3,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598828
(CHEMBL5196592)Show SMILES Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3cc12 |(2.67,-2.83,;2.96,-1.64,;4.44,-1.2,;4.8,.29,;3.69,1.36,;3.98,2.55,;2.21,.92,;1.85,-.58,;.34,-.9,;-.28,-2.3,;.33,-3.37,;-1.81,-2.14,;-2.84,-3.29,;-4.05,-3.03,;-2.36,-4.75,;-2.13,-.64,;-3.47,.13,;-3.47,1.67,;-4.8,2.44,;-4.8,3.98,;-3.47,4.75,;-2.13,3.98,;-2.13,2.44,;-.8,1.67,;-.8,.13,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598840
(CHEMBL5199806)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3c(cccc3nc12)C#N |(3.87,-2.98,;4.16,-1.78,;5.64,-1.35,;6,.14,;4.89,1.21,;5.18,2.41,;3.41,.78,;2.52,1.63,;3.05,-.72,;1.54,-1.04,;.92,-2.45,;1.53,-3.52,;-.61,-2.29,;-1.64,-3.43,;-2.85,-3.18,;-1.26,-4.61,;-.93,-.78,;-2.27,-.01,;-2.27,1.53,;-3.6,2.3,;-3.6,3.84,;-2.27,4.61,;-.93,3.84,;-.93,2.3,;.4,1.53,;.4,-.01,;-4.94,1.53,;-6,.91,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598849
(CHEMBL5204520)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)-c1nccs1 |(3.88,-2.75,;4.17,-1.55,;5.65,-1.12,;6.01,.38,;4.9,1.44,;5.19,2.64,;3.42,1.01,;2.53,1.86,;3.06,-.49,;1.55,-.81,;.93,-2.21,;1.54,-3.28,;-.61,-2.05,;-1.63,-3.2,;-2.84,-2.94,;-1.25,-4.37,;-.92,-.55,;-2.26,.22,;-2.26,1.76,;-.92,2.53,;.41,1.76,;.41,.22,;-3.59,2.53,;-3.74,4.05,;-5.24,4.37,;-6.01,3.04,;-4.98,1.89,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598834
(CHEMBL5198360)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(C#N)c3nc12 |(2.67,-3.29,;2.96,-2.09,;4.44,-1.66,;4.8,-.16,;3.69,.9,;3.98,2.1,;2.21,.47,;1.32,1.32,;1.85,-1.03,;.34,-1.35,;-.28,-2.76,;.33,-3.83,;-1.81,-2.6,;-2.84,-3.74,;-4.05,-3.49,;-2.46,-4.91,;-2.13,-1.09,;-3.47,-.32,;-3.47,1.22,;-4.8,1.99,;-4.8,3.53,;-3.47,4.3,;-2.13,3.53,;-.8,4.3,;.27,4.91,;-2.13,1.99,;-.8,1.22,;-.8,-.32,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598845
(CHEMBL5201803)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)C1CC1 |(3.4,-2.47,;3.69,-1.27,;5.17,-.84,;5.53,.66,;4.42,1.72,;4.71,2.92,;2.94,1.29,;2.05,2.14,;2.58,-.21,;1.07,-.53,;.45,-1.94,;1.06,-3.01,;-1.09,-1.78,;-2.11,-2.92,;-3.32,-2.67,;-1.73,-4.1,;-1.4,-.27,;-2.74,.5,;-2.74,2.04,;-1.4,2.81,;-.07,2.04,;-.07,.5,;-4.07,2.81,;-5.53,2.81,;-4.76,4.1,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598848
(CHEMBL5182071)Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)-c1ncc(F)cc1F |(4.54,-2.98,;4.83,-1.78,;6.31,-1.35,;6.67,.15,;5.56,1.21,;5.85,2.41,;4.08,.78,;3.19,1.63,;3.72,-.72,;2.21,-1.04,;1.59,-2.45,;2.2,-3.52,;.05,-2.29,;-.97,-3.43,;-2.18,-3.18,;-.59,-4.61,;-.27,-.78,;-1.6,-.01,;-1.6,1.53,;-.27,2.3,;1.07,1.53,;1.07,-.01,;-2.94,2.3,;-4.27,1.53,;-5.6,2.29,;-5.6,3.83,;-6.67,4.45,;-4.27,4.61,;-2.94,3.84,;-1.87,4.46,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50598819
(CHEMBL5181291)Show SMILES Cc1ccc2[nH]ncc2c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(1.07,1.63,;1.96,.78,;3.44,1.21,;4.55,.14,;4.19,-1.35,;5.05,-2.62,;4.11,-3.84,;2.71,-3.32,;2.71,-1.78,;1.6,-.72,;.09,-1.04,;-.54,-2.45,;.08,-3.52,;-2.07,-2.29,;-3.09,-3.44,;-4.3,-3.18,;-2.71,-4.61,;-2.39,-.78,;-3.72,-.01,;-3.72,1.53,;-5.05,2.3,;-5.05,3.84,;-3.72,4.61,;-2.39,3.84,;-2.39,2.3,;-1.05,1.53,;-1.05,-.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair | |
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
(Homo sapiens (Human)) | BDBM50100316
(CHEMBL3321809)Show SMILES Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(9.45,-34.75,;10.95,-35.07,;11.43,-36.54,;12.94,-36.86,;13.97,-35.71,;15.47,-36.03,;13.49,-34.25,;11.98,-33.93,;11.51,-32.46,;12.41,-31.22,;13.95,-31.22,;11.51,-29.97,;11.98,-28.51,;13.47,-28.11,;10.95,-27.36,;10.04,-30.45,;8.71,-29.68,;7.38,-30.45,;6.04,-29.68,;4.71,-30.45,;4.71,-31.99,;6.04,-32.76,;7.38,-31.99,;8.71,-32.76,;10.04,-31.99,)| Show InChI InChI=1S/C18H15N5O2/c1-9-6-7-10(24)8-13(9)23-16(19)14(17(20)25)15-18(23)22-12-5-3-2-4-11(12)21-15/h2-8,24H,19H2,1H3,(H2,20,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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