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Compile Data Set for Download or QSAR

Found 283 hits with Last Name = 'vieth' and Initial = 'm'   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408979
PNG
(CHEMBL103400)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](O)[C@H](O)c2ccccc12
Show InChI InChI=1S/C33H40N2O6/c1-33(2,3)41-32(40)34-26(19-22-14-8-5-9-15-22)27(36)20-23(18-21-12-6-4-7-13-21)31(39)35-28-24-16-10-11-17-25(24)29(37)30(28)38/h4-17,23,26-30,36-38H,18-20H2,1-3H3,(H,34,40)(H,35,39)/t23-,26+,27+,28-,29-,30+/m1/s1
PDB
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n/an/a 0.100n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408987
PNG
(CHEMBL318531)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C33H40N2O6/c1-33(2,3)41-32(40)34-27(18-21-9-5-4-6-10-21)28(37)20-24(17-22-13-15-25(36)16-14-22)31(39)35-30-26-12-8-7-11-23(26)19-29(30)38/h4-16,24,27-30,36-38H,17-20H2,1-3H3,(H,34,40)(H,35,39)/t24-,27+,28+,29-,30-/m1/s1
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n/an/a 0.160n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408995
PNG
(CHEMBL319417)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C37H48N2O5/c1-36(2,3)28-18-16-25(17-19-28)20-27(34(42)39-33-29-15-11-10-14-26(29)22-32(33)41)23-31(40)30(21-24-12-8-7-9-13-24)38-35(43)44-37(4,5)6/h7-19,27,30-33,40-41H,20-23H2,1-6H3,(H,38,43)(H,39,42)/t27-,30+,31+,32-,33-/m1/s1
PDB
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n/an/a 0.170n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408943
PNG
(CHEMBL103213)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](O)COc2ccccc12
Show InChI InChI=1S/C33H40N2O6/c1-33(2,3)41-32(39)34-26(19-23-14-8-5-9-15-23)27(36)20-24(18-22-12-6-4-7-13-22)31(38)35-30-25-16-10-11-17-29(25)40-21-28(30)37/h4-17,24,26-28,30,36-37H,18-21H2,1-3H3,(H,34,39)(H,35,38)/t24-,26+,27+,28-,30-/m1/s1
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n/an/a 0.180n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005358
PNG
(CHEMBL430875)
Show SMILES [H][C@](O)(C[C@@]([H])(CCCc1ccccc1)C(=O)N[C@]1([H])c2ccccc2[C@@]([H])(O)[C@@]1([H])O)[C@]([H])(Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H44N2O6/c1-35(2,3)43-34(42)36-28(21-24-15-8-5-9-16-24)29(38)22-25(18-12-17-23-13-6-4-7-14-23)33(41)37-30-26-19-10-11-20-27(26)31(39)32(30)40/h4-11,13-16,19-20,25,28-32,38-40H,12,17-18,21-22H2,1-3H3,(H,36,42)(H,37,41)/t25-,28+,29+,30-,31-,32+/m1/s1
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n/an/a 0.190n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005357
PNG
(CHEMBL418986)
Show SMILES [H][C@](O)(C[C@@]([H])(C\C=C\c1ccccc1)C(=O)N[C@]1([H])c2ccccc2C[C@@]1([H])O)[C@]([H])(Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H42N2O5/c1-35(2,3)42-34(41)36-29(21-25-15-8-5-9-16-25)30(38)23-27(19-12-17-24-13-6-4-7-14-24)33(40)37-32-28-20-11-10-18-26(28)22-31(32)39/h4-18,20,27,29-32,38-39H,19,21-23H2,1-3H3,(H,36,41)(H,37,40)/b17-12+/t27-,29+,30+,31-,32-/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408986
PNG
(CHEMBL318003)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C33H40N2O5/c1-33(2,3)40-32(39)34-27(19-23-14-8-5-9-15-23)28(36)21-25(18-22-12-6-4-7-13-22)31(38)35-30-26-17-11-10-16-24(26)20-29(30)37/h4-17,25,27-30,36-37H,18-21H2,1-3H3,(H,34,39)(H,35,38)/t25-,27+,28+,29-,30-/m1/s1
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n/an/a 0.250n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005385
PNG
(CHEMBL105319)
Show SMILES [H][C@](O)(C[C@@]([H])(CSc1ccccc1)C(=O)N[C@]1([H])c2ccccc2C[C@@]1([H])O)[C@]([H])(Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N2O5S/c1-33(2,3)40-32(39)34-27(18-22-12-6-4-7-13-22)28(36)20-24(21-41-25-15-8-5-9-16-25)31(38)35-30-26-17-11-10-14-23(26)19-29(30)37/h4-17,24,27-30,36-37H,18-21H2,1-3H3,(H,34,39)(H,35,38)/t24-,27-,28-,29+,30+/m0/s1
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n/an/a 0.250n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408985
PNG
(CHEMBL263938)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)N[C@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C34H39F3N2O5/c1-33(2,3)44-32(43)38-27(18-21-9-5-4-6-10-21)28(40)20-24(17-22-13-15-25(16-14-22)34(35,36)37)31(42)39-30-26-12-8-7-11-23(26)19-29(30)41/h4-16,24,27-30,40-41H,17-20H2,1-3H3,(H,38,43)(H,39,42)/t24-,27+,28+,29-,30-/m1/s1
PDB
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n/an/a 0.260n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408983
PNG
(CHEMBL322897)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C33H39N3O7/c1-33(2,3)43-32(40)34-27(18-21-9-5-4-6-10-21)28(37)20-24(17-22-13-15-25(16-14-22)36(41)42)31(39)35-30-26-12-8-7-11-23(26)19-29(30)38/h4-16,24,27-30,37-38H,17-20H2,1-3H3,(H,34,40)(H,35,39)/t24-,27+,28+,29-,30-/m1/s1
PDB
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n/an/a 0.270n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408952
PNG
(CHEMBL103821)
Show SMILES Cc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C34H42N2O5/c1-22-14-16-24(17-15-22)18-26(32(39)36-31-27-13-9-8-12-25(27)20-30(31)38)21-29(37)28(19-23-10-6-5-7-11-23)35-33(40)41-34(2,3)4/h5-17,26,28-31,37-38H,18-21H2,1-4H3,(H,35,40)(H,36,39)/t26-,28+,29+,30-,31-/m1/s1
PDB
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n/an/a 0.290n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408945
PNG
(CHEMBL317868)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(N)cc1)C(=O)N[C@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C33H41N3O5/c1-33(2,3)41-32(40)35-27(18-21-9-5-4-6-10-21)28(37)20-24(17-22-13-15-25(34)16-14-22)31(39)36-30-26-12-8-7-11-23(26)19-29(30)38/h4-16,24,27-30,37-38H,17-20,34H2,1-3H3,(H,35,40)(H,36,39)/t24-,27+,28+,29-,30-/m1/s1
PDB
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n/an/a 0.310n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408967
PNG
(CHEMBL322214)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C32H39N3O5/c1-32(2,3)40-31(39)34-26(18-21-9-5-4-6-10-21)27(36)20-24(17-22-13-15-33-16-14-22)30(38)35-29-25-12-8-7-11-23(25)19-28(29)37/h4-16,24,26-29,36-37H,17-20H2,1-3H3,(H,34,39)(H,35,38)/t24-,26+,27+,28-,29-/m1/s1
PDB
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n/an/a 0.530n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408963
PNG
(CHEMBL322634)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C33H35F5N2O5/c1-33(2,3)45-32(44)39-22(13-17-9-5-4-6-10-17)23(41)16-19(14-21-25(34)27(36)29(38)28(37)26(21)35)31(43)40-30-20-12-8-7-11-18(20)15-24(30)42/h4-12,19,22-24,30,41-42H,13-16H2,1-3H3,(H,39,44)(H,40,43)/t19-,22+,23+,24-,30-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408974
PNG
(CHEMBL317446)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](O)CCc2ccccc12
Show InChI InChI=1S/C34H42N2O5/c1-34(2,3)41-33(40)35-28(21-24-14-8-5-9-15-24)30(38)22-26(20-23-12-6-4-7-13-23)32(39)36-31-27-17-11-10-16-25(27)18-19-29(31)37/h4-17,26,28-31,37-38H,18-22H2,1-3H3,(H,35,40)(H,36,39)/t26-,28+,29-,30+,31-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408951
PNG
(CHEMBL420466)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(I)cc1)C(=O)N[C@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C33H39IN2O5/c1-33(2,3)41-32(40)35-27(18-21-9-5-4-6-10-21)28(37)20-24(17-22-13-15-25(34)16-14-22)31(39)36-30-26-12-8-7-11-23(26)19-29(30)38/h4-16,24,27-30,37-38H,17-20H2,1-3H3,(H,35,40)(H,36,39)/t24-,27+,28+,29-,30-/m1/s1
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n/an/a 0.719n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50318884
PNG
(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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NCI pathway
Reactome pathway
KEGG

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PubMed
n/an/a 1n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PTK2 (unknown origin)


J Med Chem 56: 6991-7002 (2013)


Article DOI: 10.1021/jm400798j
BindingDB Entry DOI: 10.7270/Q2G44RQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50132988
PNG
(4-[3-(6-Bromo-pyridin-2-yl)-1H-pyrazol-4-yl]-quino...)
Show SMILES Brc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
Show InChI InChI=1S/C17H11BrN4/c18-16-7-3-6-15(21-16)17-13(10-20-22-17)11-8-9-19-14-5-2-1-4-12(11)14/h1-10H,(H,20,22)
PDB

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The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase growth in mouse fibroblasts (NIH 3T3)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 2n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDGFRA (unknown origin)


J Med Chem 56: 6991-7002 (2013)


Article DOI: 10.1021/jm400798j
BindingDB Entry DOI: 10.7270/Q2G44RQC
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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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
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50132989
PNG
(4-[3-(6-Methyl-pyridin-2-yl)-1H-pyrazol-4-yl]-quin...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
Show InChI InChI=1S/C18H14N4/c1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16/h2-11H,1H3,(H,20,22)
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n/an/a 2.90n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50132988
PNG
(4-[3-(6-Bromo-pyridin-2-yl)-1H-pyrazol-4-yl]-quino...)
Show SMILES Brc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
Show InChI InChI=1S/C17H11BrN4/c18-16-7-3-6-15(21-16)17-13(10-20-22-17)11-8-9-19-14-5-2-1-4-12(11)14/h1-10H,(H,20,22)
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n/an/a 2.90n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
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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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))
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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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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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))
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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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))
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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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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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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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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin)


J Med Chem 56: 6991-7002 (2013)


Article DOI: 10.1021/jm400798j
BindingDB Entry DOI: 10.7270/Q2G44RQC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


J Med Chem 56: 6991-7002 (2013)


Article DOI: 10.1021/jm400798j
BindingDB Entry DOI: 10.7270/Q2G44RQC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


J Med Chem 56: 6991-7002 (2013)


Article DOI: 10.1021/jm400798j
BindingDB Entry DOI: 10.7270/Q2G44RQC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50005367
PNG
(CHEMBL318319)
Show SMILES [H][C@](O)(C[C@@]([H])(CC(=O)c1ccccc1)C(=O)N[C@]1([H])c2ccccc2C[C@@]1([H])O)[C@]([H])(Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H40N2O6/c1-34(2,3)42-33(41)35-27(18-22-12-6-4-7-13-22)29(38)21-25(20-28(37)23-14-8-5-9-15-23)32(40)36-31-26-17-11-10-16-24(26)19-30(31)39/h4-17,25,27,29-31,38-39H,18-21H2,1-3H3,(H,35,41)(H,36,40)/t25-,27+,29+,30-,31-/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
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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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
Cytochrome P450 3A


(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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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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50132986
PNG
(4-(3-(3-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)q...)
Show SMILES FC(F)(F)c1cccc(c1)-c1n[nH]cc1-c1ccnc2ccccc12
Show InChI InChI=1S/C19H12F3N3/c20-19(21,22)13-5-3-4-12(10-13)18-16(11-24-25-18)14-8-9-23-17-7-2-1-6-15(14)17/h1-11H,(H,24,25)
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The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Mitogen-activated protein kinase p38


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50132989
PNG
(4-[3-(6-Methyl-pyridin-2-yl)-1H-pyrazol-4-yl]-quin...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12
Show InChI InChI=1S/C18H14N4/c1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16/h2-11H,1H3,(H,20,22)
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n/an/a 7.10n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase growth in mouse fibroblasts (NIH 3T3)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408975
PNG
(CHEMBL320150)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@](C)(Cc1ccccc1)C(=O)N[C@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C34H42N2O5/c1-33(2,3)41-32(40)35-27(19-23-13-7-5-8-14-23)29(38)22-34(4,21-24-15-9-6-10-16-24)31(39)36-30-26-18-12-11-17-25(26)20-28(30)37/h5-18,27-30,37-38H,19-22H2,1-4H3,(H,35,40)(H,36,39)/t27-,28+,29-,30+,34+/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM12985
PNG
(5-Amido-pyrrolopyrazole 9d | CHEMBL402548 | N-{5-[...)
Show SMILES CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ABL1 (unknown origin)


J Med Chem 56: 6991-7002 (2013)


Article DOI: 10.1021/jm400798j
BindingDB Entry DOI: 10.7270/Q2G44RQC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50408980
PNG
(CHEMBL421019)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C=CC[C@H]1O |c:33|
Show InChI InChI=1S/C29H38N2O5/c1-29(2,3)36-28(35)31-24(18-21-13-8-5-9-14-21)26(33)19-22(17-20-11-6-4-7-12-20)27(34)30-23-15-10-16-25(23)32/h4-15,22-26,32-33H,16-19H2,1-3H3,(H,30,34)(H,31,35)/t22-,23-,24+,25-,26+/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease.


J Med Chem 43: 3020-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50439561
PNG
(CHEMBL1965660 | US9670191, F26)
Show SMILES NC(=O)c1cc([nH]c1-c1ccc(Cl)cc1Cl)-c1ccnc(N)n1
Show InChI InChI=1S/C15H11Cl2N5O/c16-7-1-2-8(10(17)5-7)13-9(14(18)23)6-12(21-13)11-3-4-20-15(19)22-11/h1-6,21H,(H2,18,23)(H2,19,20,22)
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n/an/a 10n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


J Med Chem 56: 6991-7002 (2013)


Article DOI: 10.1021/jm400798j
BindingDB Entry DOI: 10.7270/Q2G44RQC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM6866
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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n/an/a 13n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin)


J Med Chem 56: 6991-7002 (2013)


Article DOI: 10.1021/jm400798j
BindingDB Entry DOI: 10.7270/Q2G44RQC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50164233
PNG
(6-(2-(2,6-dichlorophenyl)-4-phenyl-1H-imidazol-5-y...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H21Cl2N5O2S/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 15.3n/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))
BDBM50164235
PNG
(6-[2-tert-Butyl-5-(4-fluoro-phenyl)-3H-imidazol-4-...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccc(F)cc1)C(C)(C)C
Show InChI InChI=1S/C23H26FN5O2S/c1-13(2)32(30,31)29-18-12-15(8-11-17(18)26-22(29)25)20-19(14-6-9-16(24)10-7-14)27-21(28-20)23(3,4)5/h6-13H,1-5H3,(H2,25,26)(H,27,28)
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n/an/a 15.9n/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))
BDBM50164234
PNG
(1-Cyclopentanesulfonyl-6-[2-(2,6-difluoro-phenyl)-...)
Show SMILES Nc1nc2ccc(cc2n1S(=O)(=O)C1CCCC1)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C27H23F2N5O2S/c28-19-11-6-12-20(29)23(19)26-32-24(16-7-2-1-3-8-16)25(33-26)17-13-14-21-22(15-17)34(27(30)31-21)37(35,36)18-9-4-5-10-18/h1-3,6-8,11-15,18H,4-5,9-10H2,(H2,30,31)(H,32,33)
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n/an/a 19.9n/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))
BDBM50164238
PNG
(6-[5-(4-Fluoro-phenyl)-3-methyl-3H-imidazol-4-yl]-...)
Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1c(ncn1C)-c1ccc(F)cc1
Show InChI InChI=1S/C20H20FN5O2S/c1-12(2)29(27,28)26-17-10-14(6-9-16(17)24-20(26)22)19-18(23-11-25(19)3)13-4-7-15(21)8-5-13/h4-12H,1-3H3,(H2,22,24)
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n/an/a 20.7n/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))
BDBM50164237
PNG
(2-Amino-6-[2-(2,6-difluoro-phenyl)-5-phenyl-3H-imi...)
Show SMILES CN(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C24H20F2N6O2S/c1-31(2)35(33,34)32-19-13-15(11-12-18(19)28-24(32)27)22-21(14-7-4-3-5-8-14)29-23(30-22)20-16(25)9-6-10-17(20)26/h3-13H,1-2H3,(H2,27,28)(H,29,30)
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n/an/a 22.8n/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
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50132981
PNG
(4-[5-Methyl-3-(6-methyl-pyridin-2-yl)-1H-pyrazol-4...)
Show SMILES Cc1[nH]nc(c1-c1ccnc2ccccc12)-c1cccc(C)n1 |(7.05,-2.76,;8.52,-3.22,;9.75,-2.33,;11,-3.22,;10.52,-4.69,;8.98,-4.69,;8.07,-5.94,;8.7,-7.35,;7.79,-8.59,;6.25,-8.42,;5.65,-7.02,;4.11,-6.86,;3.5,-5.44,;4.41,-4.2,;5.94,-4.37,;6.55,-5.78,;11.43,-5.94,;10.79,-7.34,;11.69,-8.59,;13.22,-8.42,;13.85,-7.02,;15.34,-6.6,;12.94,-5.78,)|
Show InChI InChI=1S/C19H16N4/c1-12-6-5-9-17(21-12)19-18(13(2)22-23-19)15-10-11-20-16-8-4-3-7-14(15)16/h3-11H,1-2H3,(H,22,23)
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n/an/a 24n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50277583
PNG
(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
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n/an/a 25n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


J Med Chem 56: 6991-7002 (2013)


Article DOI: 10.1021/jm400798j
BindingDB Entry DOI: 10.7270/Q2G44RQC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50132993
PNG
(4-(3-Phenyl-1H-pyrazol-4-yl)-quinoline | 4-(3-phen...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C18H13N3/c1-2-6-13(7-3-1)18-16(12-20-21-18)14-10-11-19-17-9-5-4-8-15(14)17/h1-12H,(H,20,21)
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n/an/a 25n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Mitogen-activated protein kinase p38


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
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