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Compile Data Set for Download or QSAR

Found 324 hits with Last Name = 'dietrich' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))
BDBM50598845
PNG
(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,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633037
PNG
(US20230348456, Compound 58)
Show SMILES Nc1c(cc(-c2cnn(c2)C2COC2)c2nc([nH]c(=O)c12)-c1ccncc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))
BDBM50598854
PNG
(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,)|
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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))
BDBM50598850
PNG
(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,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633083
PNG
(US20230348456, Compound 104)
Show SMILES Nc1c(cc(Br)c2nc([nH]c(=O)c12)-c1ccc(OCCN2CCCC2)nc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633007
PNG
(US20230348456, Compound 27)
Show SMILES Cc1ccc(O)c(C)c1-c1cc(-c2cnn(c2)C2CC2)c2nc([nH]c(=O)c2c1N)-c1ccncc1 |(4.72,1.85,;4.96,3.03,;6.18,3.86,;6.94,5.01,;5.67,5.21,;6.07,6.55,;4.25,4.46,;3.18,4.77,;3.73,3.31,;2.4,2.54,;2.4,1,;1.07,.23,;1.07,-1.31,;2.31,-2.21,;1.84,-3.68,;.3,-3.68,;-.18,-2.21,;-.47,-5.01,;-1.81,-5.78,;-.47,-6.55,;-.27,1,;-1.6,.23,;-2.93,1,;-2.93,2.54,;-1.6,3.31,;-1.6,4.85,;-.27,2.54,;1.07,3.31,;1.07,4.85,;-4.27,.23,;-5.6,1,;-6.94,.23,;-6.94,-1.31,;-5.6,-2.08,;-4.27,-1.31,)|
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633029
PNG
(US20230348456, Compound 50)
Show SMILES Nc1c(cc(-c2cccc(OCCN3CCOCC3)n2)c2nc([nH]c(=O)c12)-c1ccncc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633040
PNG
(US20230348456, Compound 61)
Show SMILES Cn1ccc(n1)-c1cc(c(N)c2c1nc([nH]c2=O)-c1ccncc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633033
PNG
(US20230348456, Compound 54)
Show SMILES Nc1c(cc(-c2cccc(OCCN3CCCC3)n2)c2nc([nH]c(=O)c12)-c1ccncc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633036
PNG
(US20230348456, Compound 57)
Show SMILES CC(=O)N1CCC(=CC1)c1cc(c(N)c2c1nc([nH]c2=O)-c1ccncc1)-c1cccc2[nH]ncc12 |c:6|
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More data for this
Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))
BDBM50598851
PNG
(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,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633009
PNG
(US20230348456, Compound 29)
Show SMILES COCCNc1ccc(cn1)-c1nc2c(Br)cc(c(N)c2c(=O)[nH]1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633002
PNG
(US20230348456, Compound 22)
Show SMILES Cc1ccc(O)c(C)c1-c1cc(C2CC2)c2nc([nH]c(=O)c2c1N)-c1ccncc1 |(4.72,-.11,;4.96,1.08,;6.18,1.91,;6.94,3.06,;5.67,3.25,;6.07,4.6,;4.25,2.5,;3.18,2.82,;3.73,1.36,;2.4,.59,;2.4,-.95,;1.07,-1.72,;1.07,-3.26,;.3,-4.6,;1.84,-4.6,;-.27,-.95,;-1.6,-1.72,;-2.93,-.95,;-2.93,.59,;-1.6,1.36,;-1.6,2.9,;-.27,.59,;1.07,1.36,;1.07,2.9,;-4.27,-1.72,;-5.6,-.95,;-6.94,-1.72,;-6.94,-3.26,;-5.6,-4.03,;-4.27,-3.26,)|
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM632999
PNG
(US20230348456, Compound 19)
Show SMILES Nc1c(cc(Br)c2nc([nH]c(=O)c12)-c1ccc(NC2CCOC2)nc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633114
PNG
(US20230348456, Compound 135)
Show SMILES Cc1ccc(O)c(C)c1-c1cc(-c2ccn(n2)C2CC2)c2nc([nH]c(=O)c2c1N)-c1ccncc1 |(2,6.09,;3.33,5.32,;4.67,6.09,;6,5.32,;6,3.78,;7.34,3.01,;4.67,3.01,;4.67,1.47,;3.33,3.78,;2,3.01,;2,1.47,;.67,.7,;.67,-.84,;1.91,-1.75,;1.44,-3.21,;-.1,-3.21,;-.58,-1.75,;-.87,-4.55,;-2.21,-5.32,;-.87,-6.09,;-.67,1.47,;-2,.7,;-3.33,1.47,;-3.33,3.01,;-2,3.78,;-2,5.32,;-.67,3.01,;.67,3.78,;.67,5.32,;-4.67,.7,;-6,1.47,;-7.34,.7,;-7.34,-.84,;-6,-1.61,;-4.67,-.84,)|
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM632990
PNG
(US20230348456, Compound 10)
Show SMILES Nc1c(cc(Br)c2nc([nH]c(=O)c12)-c1ccc(nc1)N1CCNCC1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633086
PNG
(US20230348456, Compound 107)
Show SMILES Nc1c(cc(-c2nc(cs2)C#N)c2nc[nH]c(=O)c12)-c1cccc2[nH]ncc12
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More data for this
Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))
BDBM50598836
PNG
(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,)|
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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))
BDBM50598835
PNG
(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,)|
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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
PNG
(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,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))
BDBM50598832
PNG
(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,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))
BDBM50598830
PNG
(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,)|
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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
PNG
(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,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633058
PNG
(US20230348456, Compound 79)
Show SMILES Nc1c(cc(-n2cccn2)c2nc([nH]c(=O)c12)-c1cccnc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633051
PNG
(US20230348456, Compound 72)
Show SMILES Nc1c(cc(-c2cnn(c2)C2CC2)c2nc([nH]c(=O)c12)-c1ccncc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633046
PNG
(US20230348456, Compound 67)
Show SMILES Nc1c(cc(-c2cnn(c2)C2CCOCC2)c2nc([nH]c(=O)c12)-c1ccncc1)-c1cccc2[nH]ncc12
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More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633045
PNG
(US20230348456, Compound 66)
Show SMILES CO[C@H](C)COc1cccc(c1)-c1cc(c(N)c2c1nc([nH]c2=O)-c1ccncc1)-c1cccc2[nH]ncc12 |r|
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More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633043
PNG
(US20230348456, Compound 64)
Show SMILES Nc1c(cc(C2=CCOCC2)c2nc([nH]c(=O)c12)-c1ccncc1)-c1cccc2[nH]ncc12 |t:5|
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More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633039
PNG
(US20230348456, Compound 60)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cc(c(N)c2c1nc([nH]c2=O)-c1ccncc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633008
PNG
(US20230348456, Compound 28)
Show SMILES Nc1c(cc(-c2nccs2)c2nc[nH]c(=O)c12)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633034
PNG
(US20230348456, Compound 55)
Show SMILES Nc1c(cc(-c2cccc(OC[C@@H]3CCCO3)n2)c2nc([nH]c(=O)c12)-c1ccncc1)-c1cccc2[nH]ncc12 |r|
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More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633060
PNG
(US20230348456, Compound 81)
Show SMILES Nc1c(cc(-c2cnn(c2)C2CCOCC2)c2nc([nH]c(=O)c12)-c1cccnc1)-c1cccc2[nH]ncc12
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More data for this
Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))
BDBM50598838
PNG
(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,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633056
PNG
(US20230348456, Compound 77)
Show SMILES Nc1c(cc(-n2cccn2)c2nc([nH]c(=O)c12)-c1ccncc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633052
PNG
(US20230348456, Compound 73)
Show SMILES Nc1c(cc(-c2cnn(c2)C(F)F)c2nc([nH]c(=O)c12)-c1ccncc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM632987
PNG
(US20230348456, Compound 7)
Show SMILES Nc1ccc(cn1)-c1nc2c(Br)cc(c(N)c2c(=O)[nH]1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633049
PNG
(US20230348456, Compound 70)
Show SMILES Nc1c(cc(-c2cccc(OC[C@H]3CCCO3)n2)c2nc([nH]c(=O)c12)-c1ccncc1)-c1cccc2[nH]ncc12 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM632966
PNG
(US20230348456, Compound 1)
Show SMILES Nc1c(cc(-c2nccs2)c2nc([nH]c(=O)c12)-c1ccccc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633090
PNG
(US20230348456, Compound 111)
Show SMILES Nc1c(cc(-c2nccs2)c2nc([nH]c(=O)c12)-c1cccnc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633044
PNG
(US20230348456, Compound 65)
Show SMILES Nc1c(cc(-c2cccc(OC3CCOCC3)c2)c2nc([nH]c(=O)c12)-c1ccncc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))
BDBM50598834
PNG
(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,)|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00552
BindingDB Entry DOI: 10.7270/Q2028WKQ
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633032
PNG
(US20230348456, Compound 53)
Show SMILES Nc1c(cc(-c2cnn(c2)C2CC2)c2nc([nH]c(=O)c12)-c1cccnc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633111
PNG
(US20230348456, Compound 132)
Show SMILES Nc1c(cc(-c2ccns2)c2nc[nH]c(=O)c12)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633003
PNG
(US20230348456, Compound 23)
Show SMILES Nc1c(cc(Br)c2nc([nH]c(=O)c12)-c1ccc(NCCN2CCCC2)nc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633067
PNG
(US20230348456, Compound 88)
Show SMILES Cc1ccc2[nH]ncc2c1-c1cc(-c2cccc(OCCN3CCOCC3)n2)c2nc[nH]c(=O)c2c1N |(-1.42,4.94,;-.04,4.27,;1.29,5.04,;2.63,4.27,;2.63,2.73,;3.77,1.7,;3.15,.29,;1.61,.45,;1.29,1.96,;-.04,2.73,;-1.34,1.91,;-1.34,.37,;-2.68,-.4,;-2.67,-1.94,;-4,-2.71,;-4,-4.25,;-2.67,-5.02,;-1.33,-4.25,;0,-5.02,;1.34,-4.26,;2.67,-5.03,;4.01,-4.27,;4.01,-2.73,;5.35,-1.96,;6.68,-2.73,;6.68,-4.27,;5.35,-5.04,;-1.33,-2.71,;-4.01,.37,;-5.35,-.4,;-6.68,.37,;-6.68,1.91,;-5.35,2.68,;-5.35,4.22,;-4.01,1.91,;-2.68,2.68,;-2.68,4.22,)|
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More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633070
PNG
(US20230348456, Compound 91)
Show SMILES Cc1ccc2[nH]ncc2c1-c1cc(-c2cccc(OCc3ncco3)n2)c2nc[nH]c(=O)c2c1N |(-.52,6.01,;.82,5.24,;2.15,6.01,;3.48,5.24,;3.48,3.7,;4.63,2.67,;4,1.27,;2.47,1.43,;2.15,2.93,;.82,3.7,;-.52,2.93,;-.52,1.39,;-1.85,.62,;-1.85,-.92,;-3.19,-1.69,;-3.19,-3.23,;-1.85,-4,;-.52,-3.23,;.82,-4,;2.15,-3.23,;3.48,-4,;3.48,-5.54,;4.95,-6.01,;5.85,-4.77,;4.95,-3.52,;-.52,-1.69,;-3.19,1.39,;-4.52,.62,;-5.85,1.39,;-5.85,2.93,;-4.52,3.7,;-4.52,5.24,;-3.19,2.93,;-1.85,3.7,;-1.85,5.24,)|
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More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633077
PNG
(US20230348456, Compound 98)
Show SMILES Cc1ccc2[nH]ncc2c1-c1cc(-c2nccs2)c2nc[nH]c(=O)c2c1N |(.09,4.65,;1.43,3.88,;2.76,4.65,;4.1,3.88,;4.1,2.34,;5.24,1.31,;4.61,-.1,;3.08,.06,;2.76,1.57,;1.43,2.34,;.09,1.57,;.09,.03,;-1.24,-.74,;-1.24,-2.28,;.01,-3.19,;-.47,-4.65,;-2.01,-4.65,;-2.48,-3.19,;-2.57,.03,;-3.91,-.74,;-5.24,.03,;-5.24,1.57,;-3.91,2.34,;-3.91,3.88,;-2.57,1.57,;-1.24,2.34,;-1.24,3.88,)|
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633079
PNG
(US20230348456, Compound 100)
Show SMILES Nc1c(cc(-c2cnn(c2)C2COC2)c2nc([nH]c(=O)c12)-c1cccnc1)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633107
PNG
(US20230348456, Compound 128)
Show SMILES Nc1c(cc(-c2ncc(s2)C#N)c2nc[nH]c(=O)c12)-c1cccc2[nH]ncc12
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Citation and Details
More data for this
Ligand-Target Pair
Myelin transcription factor 1


(Homo sapiens (Human))
BDBM633113
PNG
(US20230348456, Compound 134)
Show SMILES Cc1ccc(O)c(C)c1-c1cc(C2CC2)c2nc([nH]c(=O)c2c1N)-c1ccncc1 |(2,4.13,;3.33,3.36,;4.67,4.13,;6,3.36,;6,1.82,;7.34,1.05,;4.67,1.05,;4.67,-.49,;3.33,1.82,;2,1.05,;2,-.49,;.67,-1.26,;.67,-2.8,;-.1,-4.13,;1.44,-4.13,;-.67,-.49,;-2,-1.26,;-3.33,-.49,;-3.33,1.05,;-2,1.82,;-2,3.36,;-.67,1.05,;.67,1.82,;.67,3.36,;-4.67,-1.26,;-6,-.49,;-7.34,-1.26,;-7.34,-2.8,;-6,-3.57,;-4.67,-2.8,)|
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Ligand-Target Pair
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