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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 6830   
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
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM6830
PNG
(3-{2-[(4-hydroxycyclohexyl)amino]ethyl}-6-methoxy-...)
Show SMILES COc1ccc2c(c1)n(CCN[C@H]1CC[C@H](O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 |r,wU:15.16,wD:12.12,(-7.72,-2.27,;-7.56,-.74,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-3.5,-.4,;-4.91,-1.02,;-2.09,-1.02,;-1.77,-2.53,;-2.92,-3.56,;-2.6,-5.06,;-3.74,-6.1,;-5.07,-5.33,;-6.41,-6.1,;-6.41,-7.64,;-7.74,-8.41,;-5.07,-8.41,;-3.74,-7.64,;-1.06,.12,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,;3.82,2.6,;3.5,4.11,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,)|
Show InChI InChI=1S/C30H30N4O4/c1-33-13-11-16-3-9-21-24(27(16)33)26-25(29(36)32-30(26)37)23-20-10-8-19(38-2)15-22(20)34(28(21)23)14-12-31-17-4-6-18(35)7-5-17/h3,8-11,13,15,17-18,31,35H,4-7,12,14H2,1-2H3,(H,32,36,37)/t17-,18-
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Article
PubMed
n/an/a 23n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM6830
PNG
(3-{2-[(4-hydroxycyclohexyl)amino]ethyl}-6-methoxy-...)
Show SMILES COc1ccc2c(c1)n(CCN[C@H]1CC[C@H](O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 |r,wU:15.16,wD:12.12,(-7.72,-2.27,;-7.56,-.74,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-3.5,-.4,;-4.91,-1.02,;-2.09,-1.02,;-1.77,-2.53,;-2.92,-3.56,;-2.6,-5.06,;-3.74,-6.1,;-5.07,-5.33,;-6.41,-6.1,;-6.41,-7.64,;-7.74,-8.41,;-5.07,-8.41,;-3.74,-7.64,;-1.06,.12,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,;3.82,2.6,;3.5,4.11,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,)|
Show InChI InChI=1S/C30H30N4O4/c1-33-13-11-16-3-9-21-24(27(16)33)26-25(29(36)32-30(26)37)23-20-10-8-19(38-2)15-22(20)34(28(21)23)14-12-31-17-4-6-18(35)7-5-17/h3,8-11,13,15,17-18,31,35H,4-7,12,14H2,1-2H3,(H,32,36,37)/t17-,18-
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Article
PubMed
n/an/a 63n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM6830
PNG
(3-{2-[(4-hydroxycyclohexyl)amino]ethyl}-6-methoxy-...)
Show SMILES COc1ccc2c(c1)n(CCN[C@H]1CC[C@H](O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 |r,wU:15.16,wD:12.12,(-7.72,-2.27,;-7.56,-.74,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-3.5,-.4,;-4.91,-1.02,;-2.09,-1.02,;-1.77,-2.53,;-2.92,-3.56,;-2.6,-5.06,;-3.74,-6.1,;-5.07,-5.33,;-6.41,-6.1,;-6.41,-7.64,;-7.74,-8.41,;-5.07,-8.41,;-3.74,-7.64,;-1.06,.12,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,;3.82,2.6,;3.5,4.11,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,)|
Show InChI InChI=1S/C30H30N4O4/c1-33-13-11-16-3-9-21-24(27(16)33)26-25(29(36)32-30(26)37)23-20-10-8-19(38-2)15-22(20)34(28(21)23)14-12-31-17-4-6-18(35)7-5-17/h3,8-11,13,15,17-18,31,35H,4-7,12,14H2,1-2H3,(H,32,36,37)/t17-,18-
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Article
PubMed
n/an/a 902n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Rattus norvegicus (rat))
BDBM6830
PNG
(3-{2-[(4-hydroxycyclohexyl)amino]ethyl}-6-methoxy-...)
Show SMILES COc1ccc2c(c1)n(CCN[C@H]1CC[C@H](O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 |r,wU:15.16,wD:12.12,(-7.72,-2.27,;-7.56,-.74,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-3.5,-.4,;-4.91,-1.02,;-2.09,-1.02,;-1.77,-2.53,;-2.92,-3.56,;-2.6,-5.06,;-3.74,-6.1,;-5.07,-5.33,;-6.41,-6.1,;-6.41,-7.64,;-7.74,-8.41,;-5.07,-8.41,;-3.74,-7.64,;-1.06,.12,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,;3.82,2.6,;3.5,4.11,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,)|
Show InChI InChI=1S/C30H30N4O4/c1-33-13-11-16-3-9-21-24(27(16)33)26-25(29(36)32-30(26)37)23-20-10-8-19(38-2)15-22(20)34(28(21)23)14-12-31-17-4-6-18(35)7-5-17/h3,8-11,13,15,17-18,31,35H,4-7,12,14H2,1-2H3,(H,32,36,37)/t17-,18-
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Article
PubMed
n/an/a 1.17E+3n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM6830
PNG
(3-{2-[(4-hydroxycyclohexyl)amino]ethyl}-6-methoxy-...)
Show SMILES COc1ccc2c(c1)n(CCN[C@H]1CC[C@H](O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 |r,wU:15.16,wD:12.12,(-7.72,-2.27,;-7.56,-.74,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-3.5,-.4,;-4.91,-1.02,;-2.09,-1.02,;-1.77,-2.53,;-2.92,-3.56,;-2.6,-5.06,;-3.74,-6.1,;-5.07,-5.33,;-6.41,-6.1,;-6.41,-7.64,;-7.74,-8.41,;-5.07,-8.41,;-3.74,-7.64,;-1.06,.12,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,;3.82,2.6,;3.5,4.11,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,)|
Show InChI InChI=1S/C30H30N4O4/c1-33-13-11-16-3-9-21-24(27(16)33)26-25(29(36)32-30(26)37)23-20-10-8-19(38-2)15-22(20)34(28(21)23)14-12-31-17-4-6-18(35)7-5-17/h3,8-11,13,15,17-18,31,35H,4-7,12,14H2,1-2H3,(H,32,36,37)/t17-,18-
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Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair