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Compile Data Set for Download or QSAR

Found 272 hits with Last Name = 'de dios' and Initial = 'a'   
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 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50110183
PNG
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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 8.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive inhibition of CDK6/cyclin D3 (unknown origin) assessed as phosphorylation of CTRF after 50 mins by Michaelis-Menten plot analysis in pres...

Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glutamate racemase


(Lactobacillus fermentum)		BDBM50118891
PNG
((4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID | 2-Amin...)
Show SMILES N[C@H](C[C@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14+/m0/s1
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 16n/an/an/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Binding affinity against Glutamate Racemase

J Med Chem 45: 4559-70 (2002)


BindingDB Entry DOI: 10.7270/Q2B857F3
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50528812
PNG
(CHEMBL4582951)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C31H35ClN8O2/c1-31(39-29(42)26-13-12-21(17-33-26)36-27(41)11-7-15-40(2)3)14-6-8-20(16-31)37-30-35-19-24(32)28(38-30)23-18-34-25-10-5-4-9-22(23)25/h4-5,7,9-13,17-20,34H,6,8,14-16H2,1-3H3,(H,36,41)(H,39,42)(H,35,37,38)/b11-7+/t20-,31+/m1/s1
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 17n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive irreversible inhibition of CDK7/cyclinH/MAT1 (unknown origin) using 5-FAM YSPTSPSYSPTSPSYSPTSPSKKKK as substrate

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50528814
PNG
(CHEMBL4436535)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C30H33ClN8O2/c1-39(2)14-6-11-27(40)35-21-12-13-26(32-16-21)29(41)36-19-7-5-8-20(15-19)37-30-34-18-24(31)28(38-30)23-17-33-25-10-4-3-9-22(23)25/h3-4,6,9-13,16-20,33H,5,7-8,14-15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+/t19-,20+/m0/s1
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 63n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive irreversible inhibition of CDK7/cyclinH/MAT1 (unknown origin) using 5-FAM YSPTSPSYSPTSPSYSPTSPSKKKK as substrate

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50056272
PNG
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)
Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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 85n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]LY-341,495 binding to recombinant human mGlu2 receptors

J Med Chem 48: 5305-20 (2005)


Article DOI: 10.1021/jm050235r
BindingDB Entry DOI: 10.7270/Q2WM1F5W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50528811
PNG
(CHEMBL4441405)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C31H34ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-4,6,9-15,18-19,22-23,33H,5,7-8,16-17H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+/t22-,23+/m0/s1
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 105n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive irreversible inhibition of CDK7/cyclinH/MAT1 (unknown origin) using 5-FAM YSPTSPSYSPTSPSYSPTSPSKKKK as substrate

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))		BDBM50056272
PNG
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)
Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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 126n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]LY-341,495 binding to recombinant human mGlu3 receptors

J Med Chem 48: 5305-20 (2005)


Article DOI: 10.1021/jm050235r
BindingDB Entry DOI: 10.7270/Q2WM1F5W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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 255n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive irreversible inhibition of CDK7/cyclinH/MAT1 (unknown origin) using 5-FAM YSPTSPSYSPTSPSYSPTSPSKKKK as substrate

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))		BDBM50171487
PNG
((1S,2S,5R,6S)-2-((S)-2-Amino-propionylamino)-bicyc...)
Show SMILES C[C@H](N)C(=O)N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O5/c1-4(12)8(14)13-11(10(17)18)3-2-5-6(7(5)11)9(15)16/h4-7H,2-3,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t4-,5-,6-,7-,11-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]LY-341,495 binding to recombinant human mGlu3 receptors

J Med Chem 48: 5305-20 (2005)


Article DOI: 10.1021/jm050235r
BindingDB Entry DOI: 10.7270/Q2WM1F5W
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50171487
PNG
((1S,2S,5R,6S)-2-((S)-2-Amino-propionylamino)-bicyc...)
Show SMILES C[C@H](N)C(=O)N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O5/c1-4(12)8(14)13-11(10(17)18)3-2-5-6(7(5)11)9(15)16/h4-7H,2-3,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t4-,5-,6-,7-,11-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]LY-341,495 binding to recombinant human mGlu2 receptors

J Med Chem 48: 5305-20 (2005)


Article DOI: 10.1021/jm050235r
BindingDB Entry DOI: 10.7270/Q2WM1F5W
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50171487
PNG
((1S,2S,5R,6S)-2-((S)-2-Amino-propionylamino)-bicyc...)
Show SMILES C[C@H](N)C(=O)N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O5/c1-4(12)8(14)13-11(10(17)18)3-2-5-6(7(5)11)9(15)16/h4-7H,2-3,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t4-,5-,6-,7-,11-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]LY-341,495 binding to mGlu2 receptors of rat brain

J Med Chem 48: 5305-20 (2005)


Article DOI: 10.1021/jm050235r
BindingDB Entry DOI: 10.7270/Q2WM1F5W
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50056272
PNG
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)
Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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 8.00E+7n/an/an/an/an/an/an/an/a



Lilly, S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]LY-341,495 binding to mGlu2 receptors of rat brain

J Med Chem 48: 5305-20 (2005)


Article DOI: 10.1021/jm050235r
BindingDB Entry DOI: 10.7270/Q2WM1F5W
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253928
PNG
(US10189849, Compound 27 | US10927120, Compound 27 ...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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n/an/a 1n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclinD1

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50528816
PNG
(CHEMBL4457608 | US11370779, Compound 13)
Show SMILES O\N=C1\C(\Nc2ccc(O)cc\12)=C1\C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C16H10N4O5/c21-8-2-4-12-10(6-8)14(19-23)15(17-12)13-9-5-7(20(24)25)1-3-11(9)18-16(13)22/h1-6,17,21,23H,(H,18,22)/b15-13-,19-14+
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n/an/a 2n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM6302
PNG
(8-cyclopentyl-6-acetyl-5-methyl-2-{[4-(piperazin-1...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H30N6O2/c1-16-21-15-27-25(28-18-7-9-19(10-8-18)30-13-11-26-12-14-30)29-23(21)31(20-5-3-4-6-20)24(33)22(16)17(2)32/h7-10,15,20,26H,3-6,11-14H2,1-2H3,(H,27,28,29)
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n/an/a 2n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin) using GST-fused pRb (792 to 928) as substrate preincubated for 2 mins followed by [gamma-32P]-ATP addition measur...

Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50110179
PNG
(CHEMBL190281)
Show SMILES Brc1cc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C22H25BrN6O/c23-19-13-15-14-25-22(27-20(15)29(21(19)30)18-3-1-2-4-18)26-16-5-7-17(8-6-16)28-11-9-24-10-12-28/h5-8,13-14,18,24H,1-4,9-12H2,(H,25,26,27)
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n/an/a 2n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin) using GST-fused pRb (792 to 928) as substrate preincubated for 2 mins followed by [gamma-32P]-ATP addition measur...

Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373946
PNG
(CHEMBL270657)
Show SMILES CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C24H27F2N5/c1-23(2,3)12-31-13-27-18-10-9-17(28-21(18)31)20-19(29-22(30-20)24(4,5)6)15-8-7-14(25)11-16(15)26/h7-11,13H,12H2,1-6H3,(H,29,30)
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n/an/a 2.30n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373967
PNG
(CHEMBL442972)
Show SMILES CC(C)Cn1c(N)nc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C25H22F2N6/c1-14(2)13-33-24-19(30-25(33)28)12-11-18(29-24)22-21(15-7-4-3-5-8-15)31-23(32-22)20-16(26)9-6-10-17(20)27/h3-12,14H,13H2,1-2H3,(H2,28,30)(H,31,32)
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n/an/a 2.5n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164242
PNG
(6-(5-Phenyl-2-piperidin-4-yl-3H-imidazol-4-yl)-1-(...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)C1CCNCC1
Show InChI InChI=1S/C24H28N6O2S/c1-15(2)33(31,32)30-20-14-18(8-9-19(20)27-24(30)25)22-21(16-6-4-3-5-7-16)28-23(29-22)17-10-12-26-13-11-17/h3-9,14-15,17,26H,10-13H2,1-2H3,(H2,25,27)(H,28,29)
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n/an/a 2.70n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide

J Med Chem 48: 2270-3 (2005)


Article DOI: 10.1021/jm048978k
BindingDB Entry DOI: 10.7270/Q2M90869
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50528809
PNG
(CHEMBL4589249)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(C[S@](C)(=N)=O)ccn2)ncc1F |r|
Show InChI InChI=1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25)/t28-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of recombinant full-length His-tagged human CDK9/cyclin T expressed in baculovirus infected insect cells using biot...

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50347388
PNG
(CHEMBL1234833)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |r|
Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of CDK2 (unknown origin)

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373950
PNG
(CHEMBL409698)
Show SMILES CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C26H23ClFN5/c1-26(2,3)14-33-15-29-20-13-12-19(30-25(20)33)23-22(16-8-5-4-6-9-16)31-24(32-23)21-17(27)10-7-11-18(21)28/h4-13,15H,14H2,1-3H3,(H,31,32)
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n/an/a 3.20n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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n/an/a 3.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive inhibition of human CDK7 in presence of ATP

Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373968
PNG
(CHEMBL272108)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C24H20F2N6O2S/c1-13(2)35(33,34)32-23-18(29-24(32)27)12-11-17(28-23)21-20(14-7-4-3-5-8-14)30-22(31-21)19-15(25)9-6-10-16(19)26/h3-13H,1-2H3,(H2,27,29)(H,30,31)
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n/an/a 3.5n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373947
PNG
(CHEMBL274201)
Show SMILES CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H22Cl2FN5/c1-26(2,3)13-34-14-30-20-12-11-19(31-25(20)34)23-22(15-7-9-16(29)10-8-15)32-24(33-23)21-17(27)5-4-6-18(21)28/h4-12,14H,13H2,1-3H3,(H,32,33)
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n/an/a 3.60n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373954
PNG
(CHEMBL429422)
Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H21Cl2N5/c1-15(2)13-32-14-28-20-12-11-19(29-25(20)32)23-22(16-7-4-3-5-8-16)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-12,14-15H,13H2,1-2H3,(H,30,31)
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n/an/a 3.70n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373952
PNG
(CHEMBL272731)
Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H19Cl2F2N5/c1-13(2)11-34-12-30-20-9-8-19(31-25(20)34)23-22(15-7-6-14(28)10-18(15)29)32-24(33-23)21-16(26)4-3-5-17(21)27/h3-10,12-13H,11H2,1-2H3,(H,32,33)
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n/an/a 3.90n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373951
PNG
(CHEMBL271505)
Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C23H25F2N5/c1-13(2)11-30-12-26-18-9-8-17(27-21(18)30)20-19(28-22(29-20)23(3,4)5)15-7-6-14(24)10-16(15)25/h6-10,12-13H,11H2,1-5H3,(H,28,29)
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n/an/a 3.90n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50528817
PNG
(CHEMBL4462530 | US10717746, Example 14 | US2023041...)
Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
Show InChI InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1
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n/an/a<4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50528809
PNG
(CHEMBL4589249)
Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(C[S@](C)(=N)=O)ccn2)ncc1F |r|
Show InChI InChI=1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25)/t28-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of recombinant full-length His-tagged human CDK9/cyclin T expressed in baculovirus infected insect cells using biot...

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM253928
PNG
(US10189849, Compound 27 | US10927120, Compound 27 ...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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n/an/a 4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/cyclin D3

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM50110180
PNG
(CHEMBL3604462)
Show SMILES COc1ccc(Nc2nccc(n2)-c2ccc3nc(C)n(C(C)C)c3c2)cc1
Show InChI InChI=1S/C22H23N5O/c1-14(2)27-15(3)24-20-10-5-16(13-21(20)27)19-11-12-23-22(26-19)25-17-6-8-18(28-4)9-7-17/h5-14H,1-4H3,(H,23,25,26)
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n/an/a 4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B1 (unknown origin)

Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164228
PNG
(1-(isopropylsulfonyl)-6-(4-phenyl-1H-imidazol-5-yl...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]cnc1-c1ccccc1
Show InChI InChI=1S/C19H19N5O2S/c1-12(2)27(25,26)24-16-10-14(8-9-15(16)23-19(24)20)18-17(21-11-22-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,20,23)(H,21,22)
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n/an/a 4.20n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide

J Med Chem 48: 2270-3 (2005)


Article DOI: 10.1021/jm048978k
BindingDB Entry DOI: 10.7270/Q2M90869
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164228
PNG
(1-(isopropylsulfonyl)-6-(4-phenyl-1H-imidazol-5-yl...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]cnc1-c1ccccc1
Show InChI InChI=1S/C19H19N5O2S/c1-12(2)27(25,26)24-16-10-14(8-9-15(16)23-19(24)20)18-17(21-11-22-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,20,23)(H,21,22)
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n/an/a 4.20n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164240
PNG
(6-[5-(4-Fluoro-phenyl)-3H-imidazol-4-yl]-1-(propan...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc[nH]c1-c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN5O2S/c1-11(2)28(26,27)25-16-9-13(5-8-15(16)24-19(25)21)18-17(22-10-23-18)12-3-6-14(20)7-4-12/h3-11H,1-2H3,(H2,21,24)(H,22,23)
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n/an/a 4.30n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide

J Med Chem 48: 2270-3 (2005)


Article DOI: 10.1021/jm048978k
BindingDB Entry DOI: 10.7270/Q2M90869
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164236
PNG
(6-[2-tert-Butyl-5-(2,4-difluoro-phenyl)-3H-imidazo...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C23H25F2N5O2S/c1-12(2)33(31,32)30-18-10-13(6-9-17(18)27-22(30)26)19-20(29-21(28-19)23(3,4)5)15-8-7-14(24)11-16(15)25/h6-12H,1-5H3,(H2,26,27)(H,28,29)
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n/an/a 4.40n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide

J Med Chem 48: 2270-3 (2005)


Article DOI: 10.1021/jm048978k
BindingDB Entry DOI: 10.7270/Q2M90869
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164236
PNG
(6-[2-tert-Butyl-5-(2,4-difluoro-phenyl)-3H-imidazo...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccc(F)cc1F)C(C)(C)C
Show InChI InChI=1S/C23H25F2N5O2S/c1-12(2)33(31,32)30-18-10-13(6-9-17(18)27-22(30)26)19-20(29-21(28-19)23(3,4)5)15-8-7-14(24)11-16(15)25/h6-12H,1-5H3,(H2,26,27)(H,28,29)
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n/an/a 4.40n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164230
PNG
(6-[5-(4-Fluoro-phenyl)-2-isopropyl-3H-imidazol-4-y...)
Show SMILES CC(C)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C22H24FN5O2S/c1-12(2)21-26-19(14-5-8-16(23)9-6-14)20(27-21)15-7-10-17-18(11-15)28(22(24)25-17)31(29,30)13(3)4/h5-13H,1-4H3,(H2,24,25)(H,26,27)
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n/an/a 4.5n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide

J Med Chem 48: 2270-3 (2005)


Article DOI: 10.1021/jm048978k
BindingDB Entry DOI: 10.7270/Q2M90869
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373966
PNG
(CHEMBL272989)
Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C25H21F2N5/c1-15(2)13-32-14-28-20-12-11-19(29-25(20)32)23-22(16-7-4-3-5-8-16)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-12,14-15H,13H2,1-2H3,(H,30,31)
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n/an/a 4.5n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164239
PNG
(6-[2-Ethyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl]-1...)
Show SMILES CCc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C21H22FN5O2S/c1-4-18-25-19(13-5-8-15(22)9-6-13)20(26-18)14-7-10-16-17(11-14)27(21(23)24-16)30(28,29)12(2)3/h5-12H,4H2,1-3H3,(H2,23,24)(H,25,26)
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n/an/a 4.70n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide

J Med Chem 48: 2270-3 (2005)


Article DOI: 10.1021/jm048978k
BindingDB Entry DOI: 10.7270/Q2M90869
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164229
PNG
(6-[2-tert-Butyl-5-(2,4-difluoro-phenyl)-3H-imidazo...)
Show SMILES CC(C)(C)c1nc(c([nH]1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)(C)C)-c1ccc(F)cc1F
Show InChI InChI=1S/C24H27F2N5O2S/c1-23(2,3)21-29-19(20(30-21)15-9-8-14(25)12-16(15)26)13-7-10-17-18(11-13)31(22(27)28-17)34(32,33)24(4,5)6/h7-12H,1-6H3,(H2,27,28)(H,29,30)
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n/an/a 4.80n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide

J Med Chem 48: 2270-3 (2005)


Article DOI: 10.1021/jm048978k
BindingDB Entry DOI: 10.7270/Q2M90869
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164232
PNG
(6-(2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-y...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C25H21F2N5O2S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-14H,1-2H3,(H2,28,29)(H,30,31)
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n/an/a 4.90n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide

J Med Chem 48: 2270-3 (2005)


Article DOI: 10.1021/jm048978k
BindingDB Entry DOI: 10.7270/Q2M90869
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164232
PNG
(6-(2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-y...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C25H21F2N5O2S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-14H,1-2H3,(H2,28,29)(H,30,31)
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n/an/a 4.90n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM106950
PNG
(US8592581, 1)
Show SMILES CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
Show InChI InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of CDK2/cyclin E (unknown origin)

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM6301
PNG
(6-bromo-8-cyclopentyl-5-methyl-2-{[4-(piperazin-1-...)
Show SMILES Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Show InChI InChI=1S/C23H27BrN6O/c1-15-19-14-26-23(27-16-6-8-17(9-7-16)29-12-10-25-11-13-29)28-21(19)30(22(31)20(15)24)18-4-2-3-5-18/h6-9,14,18,25H,2-5,10-13H2,1H3,(H,26,27,28)
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n/an/a 5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin) using GST-fused pRb (792 to 928) as substrate preincubated for 2 mins followed by [gamma-32P]-ATP addition measur...

Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373953
PNG
(CHEMBL402188)
Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C23H27N5/c1-15(2)13-28-14-24-18-12-11-17(25-21(18)28)20-19(16-9-7-6-8-10-16)26-22(27-20)23(3,4)5/h6-12,14-15H,13H2,1-5H3,(H,26,27)
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n/an/a 5.10n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50164231
PNG
(6-[2-(1-Isobutyl-piperidin-4-yl)-5-phenyl-3H-imida...)
Show SMILES CC(C)CN1CCC(CC1)c1nc(c([nH]1)-c1ccccc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C28H36N6O2S/c1-18(2)17-33-14-12-21(13-15-33)27-31-25(20-8-6-5-7-9-20)26(32-27)22-10-11-23-24(16-22)34(28(29)30-23)37(35,36)19(3)4/h5-11,16,18-19,21H,12-15,17H2,1-4H3,(H2,29,30)(H,31,32)
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n/an/a 5.5n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide

J Med Chem 48: 2270-3 (2005)


Article DOI: 10.1021/jm048978k
BindingDB Entry DOI: 10.7270/Q2M90869
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373970
PNG
(CHEMBL402219)
Show SMILES CC(C)(C)Cn1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C27H25F2N5/c1-27(2,3)15-34-21-14-17(12-13-20(21)31-26(34)30)24-23(16-8-5-4-6-9-16)32-25(33-24)22-18(28)10-7-11-19(22)29/h4-14H,15H2,1-3H3,(H2,30,31)(H,32,33)
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n/an/a 6n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50373963
PNG
(CHEMBL437030)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C24H22N6O2S/c1-15(2)33(31,32)30-20-14-18(8-9-19(20)27-24(30)25)22-21(16-6-4-3-5-7-16)28-23(29-22)17-10-12-26-13-11-17/h3-15H,1-2H3,(H2,25,27)(H,28,29)
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n/an/a 6.10n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 18: 179-83 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.106
BindingDB Entry DOI: 10.7270/Q2R78G31
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50164232
PNG
(6-(2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-y...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C25H21F2N5O2S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-14H,1-2H3,(H2,28,29)(H,30,31)
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n/an/a 6.30n/an/an/an/an/an/a



Eli Lilly and Co.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Cytochrome P450 3A4

J Med Chem 48: 2270-3 (2005)


Article DOI: 10.1021/jm048978k
BindingDB Entry DOI: 10.7270/Q2M90869
More data for this
Ligand-Target Pair
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