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Compile Data Set for Download or QSAR

Found 9 hits of ki data for polymerid = 4465   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
SRC


(Homo sapiens (Human))
BDBM50437405
PNG
(CHEMBL2408778)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1CCCCCC(=O)NO
Show InChI InChI=1S/C25H24ClN9O2/c26-18-10-8-16(9-11-18)23-22-24(27)28-15-29-25(22)35(31-23)19-6-4-5-17(13-19)20-14-30-33-34(20)12-3-1-2-7-21(36)32-37/h4-6,8-11,13-15,37H,1-3,7,12H2,(H,32,36)(H2,27,28,29)
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504n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HCK (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50119568
PNG
(CHEMBL3617738)
Show SMILES O=C(CCCCCC(=O)N1CCC[C@@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1
Show InChI InChI=1/C31H36N8O3/c40-29(11-2-1-3-12-30(41)39-17-5-9-25(39)26-10-6-18-42-26)33-22-7-4-8-23(19-22)34-31-32-16-15-27(36-31)35-28-20-24(37-38-28)21-13-14-21/h4,6-8,10,15-16,18-21,25H,1-3,5,9,11-14,17H2,(H,33,40)(H3,32,34,35,36,37,38)/t25-/s2
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730n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Hck (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50119566
PNG
(CHEMBL3617732)
Show SMILES CCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1
Show InChI InChI=1S/C20H23N7O/c1-2-4-19(28)22-14-5-3-6-15(11-14)23-20-21-10-9-17(25-20)24-18-12-16(26-27-18)13-7-8-13/h3,5-6,9-13H,2,4,7-8H2,1H3,(H,22,28)(H3,21,23,24,25,26,27)
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980n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Hck (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HCK


J Med Chem 54: 2341-50 (2011)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50119567
PNG
(CHEMBL3617740)
Show SMILES C[C@@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1)c1ccco1
Show InChI InChI=1/C29H34N8O3/c1-19(24-9-6-16-40-24)31-27(38)10-3-2-4-11-28(39)32-21-7-5-8-22(17-21)33-29-30-15-14-25(35-29)34-26-18-23(36-37-26)20-12-13-20/h5-9,14-20H,2-4,10-13H2,1H3,(H,31,38)(H,32,39)(H3,30,33,34,35,36,37)/t19-/s2
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1.20E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Hck (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50354476
PNG
(CHEMBL1836673)
Show SMILES CSc1nc(Nc2cccc(Cl)c2)c2cnn(CCc3ccccc3)c2n1
Show InChI InChI=1S/C20H18ClN5S/c1-27-20-24-18(23-16-9-5-8-15(21)12-16)17-13-22-26(19(17)25-20)11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,23,24,25)
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1.72E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition human recombinant HcK using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP


Bioorg Med Chem Lett 21: 5928-33 (2011)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50354480
PNG
(CHEMBL1836678)
Show SMILES CSc1nc(Nc2ccccc2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1S/C21H21N5S/c1-15(16-9-5-3-6-10-16)14-26-20-18(13-22-26)19(24-21(25-20)27-2)23-17-11-7-4-8-12-17/h3-13,15H,14H2,1-2H3,(H,23,24,25)
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3.87E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition human recombinant HcK using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP


Bioorg Med Chem Lett 21: 5928-33 (2011)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50354481
PNG
(CHEMBL1836679)
Show SMILES CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20ClN5S/c1-14(15-7-4-3-5-8-15)13-27-20-18(12-23-27)19(25-21(26-20)28-2)24-17-10-6-9-16(22)11-17/h3-12,14H,13H2,1-2H3,(H,24,25,26)
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5.00E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition human recombinant HcK using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP


Bioorg Med Chem Lett 21: 5928-33 (2011)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50119571
PNG
(CHEMBL3617729)
Show SMILES C=CC(=O)N1CCCC1c1ccco1
Show InChI InChI=1/C11H13NO2/c1-2-11(13)12-7-3-5-9(12)10-6-4-8-14-10/h2,4,6,8-9H,1,3,5,7H2
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>1.25E+6n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Hck (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair