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PubMed code 22189141

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))		BDBM3096
PNG
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)
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n/an/a 7n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of human Myt1 by TR-FRET assay

Bioorg Med Chem Lett 22: 1219-23 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.064
BindingDB Entry DOI: 10.7270/Q2ZG6SQB
More data for this
Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase


(Homo sapiens (Human))		BDBM50363297
PNG
(CHEMBL1947176)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1S/C69H110N17O24PS/c1-8-37(6)57(86-63(99)45(14-10-12-28-71)78-59(95)43(72)23-25-50(73)89)65(101)76-31-51(90)77-46(24-26-54(93)94)60(96)74-33-53(92)84-58(38(7)87)68(104)80-47(29-40-17-21-42(22-18-40)110-111(107,108)109)61(97)75-32-52(91)83-55(35(2)3)67(103)85-56(36(4)5)66(102)81-48(30-39-15-19-41(88)20-16-39)64(100)79-44(13-9-11-27-70)62(98)82-49(34-112)69(105)106/h15-22,35-38,43-49,55-58,87-88,112H,8-14,23-34,70-72H2,1-7H3,(H2,73,89)(H,74,96)(H,75,97)(H,76,101)(H,77,90)(H,78,95)(H,79,100)(H,80,104)(H,81,102)(H,82,98)(H,83,91)(H,84,92)(H,85,103)(H,86,99)(H,93,94)(H,105,106)(H2,107,108,109)/t37-,38+,43-,44-,45-,46-,47-,48-,49-,55-,56-,57-,58-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Activity at full length human Myt1 expressed in human HEK293 cells at 10 uM after 30 mins by fluorescence polarization immunoassay

Bioorg Med Chem Lett 22: 1219-23 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.064
BindingDB Entry DOI: 10.7270/Q2ZG6SQB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%