BindingDB logo
myBDB logout

12 molecules are shown

Wt: 369.3
BDBM30259
Wt: 383.4
BDBM30262
Wt: 440.5
BDBM30264
Wt: 412.4
BDBM30265
Wt: 454.5
BDBM30266
Wt: 426.4
BDBM30267
Wt: 440.4
BDBM30268
Wt: 413.4
BDBM30269
Wt: 411.4
BDBM30270
Wt: 451.5
BDBM30271
Wt: 480.5
BDBM30272
Wt: 466.5
BDBM30273

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 30259,30262,30264,30265,30266,30267,30268,30269,30270,30271,30272,30273   
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
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30259
PNG
(carboline analog, 71)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(N)=O
Show InChI InChI=1S/C17H15N5O3S/c1-7-5-19-16(25)13-12(7)9-4-8(2-3-10(9)20-13)15(24)22-17-21-11(6-26-17)14(18)23/h2-4,6-7,20H,5H2,1H3,(H2,18,23)(H,19,25)(H,21,22,24)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30262
PNG
(carboline analog, 74)
Show SMILES CNC(=O)c1csc(NC(=O)c2ccc3[nH]c4c(C(C)CNC4=O)c3c2)n1
Show InChI InChI=1S/C18H17N5O3S/c1-8-6-20-17(26)14-13(8)10-5-9(3-4-11(10)21-14)15(24)23-18-22-12(7-27-18)16(25)19-2/h3-5,7-8,21H,6H2,1-2H3,(H,19,25)(H,20,26)(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30264
PNG
(carboline analog, 76)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NCCN(C)C
Show InChI InChI=1S/C21H24N6O3S/c1-11-9-23-20(30)17-16(11)13-8-12(4-5-14(13)24-17)18(28)26-21-25-15(10-31-21)19(29)22-6-7-27(2)3/h4-5,8,10-11,24H,6-7,9H2,1-3H3,(H,22,29)(H,23,30)(H,25,26,28)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30265
PNG
(carboline analog, 77)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NCCN
Show InChI InChI=1S/C19H20N6O3S/c1-9-7-22-18(28)15-14(9)11-6-10(2-3-12(11)23-15)16(26)25-19-24-13(8-29-19)17(27)21-5-4-20/h2-3,6,8-9,23H,4-5,7,20H2,1H3,(H,21,27)(H,22,28)(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30266
PNG
(carboline analog, 78)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NCCCN(C)C
Show InChI InChI=1S/C22H26N6O3S/c1-12-10-24-21(31)18-17(12)14-9-13(5-6-15(14)25-18)19(29)27-22-26-16(11-32-22)20(30)23-7-4-8-28(2)3/h5-6,9,11-12,25H,4,7-8,10H2,1-3H3,(H,23,30)(H,24,31)(H,26,27,29)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30273
PNG
(carboline analog, 85)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C23H26N6O3S/c1-12-10-24-22(32)19-18(12)15-9-13(3-4-16(15)26-19)20(30)28-23-27-17(11-33-23)21(31)25-14-5-7-29(2)8-6-14/h3-4,9,11-12,14,26H,5-8,10H2,1-2H3,(H,24,32)(H,25,31)(H,27,28,30)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30268
PNG
(carboline analog, 80)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NCCC(N)=O
Show InChI InChI=1S/C20H20N6O4S/c1-9-7-23-19(30)16-15(9)11-6-10(2-3-12(11)24-16)17(28)26-20-25-13(8-31-20)18(29)22-5-4-14(21)27/h2-3,6,8-9,24H,4-5,7H2,1H3,(H2,21,27)(H,22,29)(H,23,30)(H,25,26,28)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30269
PNG
(carboline analog, 81)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NCCO
Show InChI InChI=1S/C19H19N5O4S/c1-9-7-21-18(28)15-14(9)11-6-10(2-3-12(11)22-15)16(26)24-19-23-13(8-29-19)17(27)20-4-5-25/h2-3,6,8-9,22,25H,4-5,7H2,1H3,(H,20,27)(H,21,28)(H,23,24,26)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30270
PNG
(carboline analog, 82)
Show SMILES CCCNC(=O)c1csc(NC(=O)c2ccc3[nH]c4c(C(C)CNC4=O)c3c2)n1
Show InChI InChI=1S/C20H21N5O3S/c1-3-6-21-18(27)14-9-29-20(24-14)25-17(26)11-4-5-13-12(7-11)15-10(2)8-22-19(28)16(15)23-13/h4-5,7,9-10,23H,3,6,8H2,1-2H3,(H,21,27)(H,22,28)(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30271
PNG
(carboline analog, 83)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H25N5O3S/c1-12-10-24-22(31)19-18(12)15-9-13(7-8-16(15)26-19)20(29)28-23-27-17(11-32-23)21(30)25-14-5-3-2-4-6-14/h7-9,11-12,14,26H,2-6,10H2,1H3,(H,24,31)(H,25,30)(H,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30272
PNG
(carboline analog, 84)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C24H28N6O3S/c1-13-11-25-22(32)20-19(13)16-10-14(4-5-17(16)26-20)21(31)28-24-27-18(12-34-24)23(33)30-8-6-15(7-9-30)29(2)3/h4-5,10,12-13,15,26H,6-9,11H2,1-3H3,(H,25,32)(H,27,28,31)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAPK-Activated Protein Kinase 2 (MK2)


(Homo sapiens (human))
BDBM30267
PNG
(carboline analog, 79)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NCC(N)=O
Show InChI InChI=1S/C19H18N6O4S/c1-8-5-21-18(29)15-14(8)10-4-9(2-3-11(10)23-15)16(27)25-19-24-12(7-30-19)17(28)22-6-13(20)26/h2-4,7-8,23H,5-6H2,1H3,(H2,20,26)(H,21,29)(H,22,28)(H,24,25,27)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 124n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...


Bioorg Med Chem Lett 17: 4664-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.101
BindingDB Entry DOI: 10.7270/Q23N21QP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)