new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 435 hits with Last Name = 'wu' and Initial = 'jp'   
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
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198921
PNG
(CHEMBL3889627)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.398n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of CCL27-dependent calcium flux in p...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198921
PNG
(CHEMBL3889627)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL27-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198921
PNG
(CHEMBL3889627)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL28-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198921
PNG
(CHEMBL3889627)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in mouse BA/F3 cells assessed as inhibition of human CCL27-dependent chemotaxis


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198921
PNG
(CHEMBL3889627)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL28-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198920
PNG
(CHEMBL3951018)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of CCL27-dependent calcium flux in p...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374681
PNG
(CHEMBL257834)
Show SMILES CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1
Show InChI InChI=1S/C29H36N6O3S/c1-28(2,3)17-34-11-7-20(8-12-34)31-25(37)21-15-39-27(32-21)33-24(36)19-6-5-18-13-23-26(38)30-16-29(9-4-10-29)35(23)22(18)14-19/h5-6,13-15,20H,4,7-12,16-17H2,1-3H3,(H,30,38)(H,31,37)(H,32,33,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374682
PNG
(CHEMBL403154)
Show SMILES CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)n1
Show InChI InChI=1S/C28H36N6O3S/c1-27(2,3)16-33-10-8-19(9-11-33)30-24(36)20-14-38-26(31-20)32-23(35)18-7-6-17-12-22-25(37)29-15-28(4,5)34(22)21(17)13-18/h6-7,12-14,19H,8-11,15-16H2,1-5H3,(H,29,37)(H,30,36)(H,31,32,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374683
PNG
(CHEMBL258045)
Show SMILES CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1
Show InChI InChI=1S/C25H28N6O3S/c1-30-9-5-17(6-10-30)27-22(33)18-13-35-24(28-18)29-21(32)16-4-3-15-11-20-23(34)26-14-25(7-2-8-25)31(20)19(15)12-16/h3-4,11-13,17H,2,5-10,14H2,1H3,(H,26,34)(H,27,33)(H,28,29,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198921
PNG
(CHEMBL3889627)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL27-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374679
PNG
(CHEMBL403258)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1
Show InChI InChI=1S/C31H32N6O3S/c38-27(22-8-7-21-15-26-29(40)32-19-31(11-4-12-31)37(26)25(21)16-22)35-30-34-24(18-41-30)28(39)33-23-9-13-36(14-10-23)17-20-5-2-1-3-6-20/h1-3,5-8,15-16,18,23H,4,9-14,17,19H2,(H,32,40)(H,33,39)(H,34,35,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374687
PNG
(CHEMBL256194)
Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(CC(C)(C)C)CC1 |w:1.0|
Show InChI InChI=1S/C27H34N6O3S/c1-16-13-28-25(36)22-11-17-5-6-18(12-21(17)33(16)22)23(34)31-26-30-20(14-37-26)24(35)29-19-7-9-32(10-8-19)15-27(2,3)4/h5-6,11-12,14,16,19H,7-10,13,15H2,1-4H3,(H,28,36)(H,29,35)(H,30,31,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198920
PNG
(CHEMBL3951018)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human CCL27-Fc from CCR10 expressed in HEK cell membranes by immunochemical binding analysis


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198920
PNG
(CHEMBL3951018)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of human CCL27-Fc from CCR10 expressed in HEK cell membranes by immunochemical binding analysis


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198920
PNG
(CHEMBL3951018)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Reversible inhibition of human CCL27-Fc binding to CCR10 expressed in HEK cell membranes by immunochemical binding assay


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374688
PNG
(CHEMBL255991)
Show SMILES CC(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)n4c3c2)n1 |w:30.31|
Show InChI InChI=1S/C26H32N6O3S/c1-15(2)13-31-8-6-19(7-9-31)28-24(34)20-14-36-26(29-20)30-23(33)18-5-4-17-10-22-25(35)27-12-16(3)32(22)21(17)11-18/h4-5,10-11,14-16,19H,6-9,12-13H2,1-3H3,(H,27,35)(H,28,34)(H,29,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374680
PNG
(CHEMBL429504)
Show SMILES CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H32N6O3S/c1-30(2)18-31-28(39)25-14-20-8-9-21(15-24(20)36(25)30)26(37)34-29-33-23(17-40-29)27(38)32-22-10-12-35(13-11-22)16-19-6-4-3-5-7-19/h3-9,14-15,17,22H,10-13,16,18H2,1-2H3,(H,31,39)(H,32,38)(H,33,34,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374693
PNG
(CHEMBL271309)
Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(C)CC1 |w:1.0|
Show InChI InChI=1S/C23H26N6O3S/c1-13-11-24-22(32)19-9-14-3-4-15(10-18(14)29(13)19)20(30)27-23-26-17(12-33-23)21(31)25-16-5-7-28(2)8-6-16/h3-4,9-10,12-13,16H,5-8,11H2,1-2H3,(H,24,32)(H,25,31)(H,26,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374684
PNG
(CHEMBL270148)
Show SMILES CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)n1
Show InChI InChI=1S/C24H28N6O3S/c1-24(2)13-25-22(33)19-10-14-4-5-15(11-18(14)30(19)24)20(31)28-23-27-17(12-34-23)21(32)26-16-6-8-29(3)9-7-16/h4-5,10-12,16H,6-9,13H2,1-3H3,(H,25,33)(H,26,32)(H,27,28,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374689
PNG
(CHEMBL256196)
Show SMILES CCN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)n4c3c2)n1 |w:28.29|
Show InChI InChI=1S/C24H28N6O3S/c1-3-29-8-6-17(7-9-29)26-22(32)18-13-34-24(27-18)28-21(31)16-5-4-15-10-20-23(33)25-12-14(2)30(20)19(15)11-16/h4-5,10-11,13-14,17H,3,6-9,12H2,1-2H3,(H,25,33)(H,26,32)(H,27,28,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50199078
PNG
(CHEMBL3923733)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1ccc2cc[nH]c2c1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL27-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50199077
PNG
(CHEMBL3904154)
Show SMILES CC1CCN(CC1)C(=O)[C@@H](CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 |r|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL27-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374686
PNG
(CHEMBL403286)
Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(Cc2ccccc2)CC1 |w:1.0|
Show InChI InChI=1S/C29H30N6O3S/c1-18-15-30-28(38)25-13-20-7-8-21(14-24(20)35(18)25)26(36)33-29-32-23(17-39-29)27(37)31-22-9-11-34(12-10-22)16-19-5-3-2-4-6-19/h2-8,13-14,17-18,22H,9-12,15-16H2,1H3,(H,30,38)(H,31,37)(H,32,33,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
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
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)
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50199085
PNG
(CHEMBL3891692)
Show SMILES FC(F)(F)C1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL27-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374695
PNG
(CHEMBL246301)
Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(C)CC1 |w:1.0|
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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198921
PNG
(CHEMBL3889627)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in HEK cell membranes assessed as inhibition of human CCL27-dependent europium-labeled GTP binding


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198997
PNG
(CHEMBL3971826)
Show SMILES O=C(C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12)N1CCCCC1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL27-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374692
PNG
(CHEMBL272072)
Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCOCC1 |w:1.0|
Show InChI InChI=1S/C22H23N5O4S/c1-12-10-23-21(30)18-8-13-2-3-14(9-17(13)27(12)18)19(28)26-22-25-16(11-32-22)20(29)24-15-4-6-31-7-5-15/h2-3,8-9,11-12,15H,4-7,10H2,1H3,(H,23,30)(H,24,29)(H,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198920
PNG
(CHEMBL3951018)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL28-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198994
PNG
(CHEMBL3971886)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1ccc2[nH]ccc2c1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in mouse BA/F3 cells assessed as inhibition of human CCL27-dependent chemotaxis


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198920
PNG
(CHEMBL3951018)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL28-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50199078
PNG
(CHEMBL3923733)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1ccc2cc[nH]c2c1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in mouse BA/F3 cells assessed as inhibition of human CCL27-dependent chemotaxis


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198920
PNG
(CHEMBL3951018)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in mouse BA/F3 cells assessed as inhibition of human CCL27-dependent chemotaxis


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
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
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)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374685
PNG
(CHEMBL270150)
Show SMILES CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H27N5O3S/c1-24(2)13-25-22(32)19-10-14-8-9-15(11-18(14)29(19)24)20(30)28-23-27-17(12-33-23)21(31)26-16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3,(H,25,32)(H,26,31)(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198920
PNG
(CHEMBL3951018)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in HEK cell membranes assessed as inhibition of human CCL27-dependent europium-labeled GTP binding


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198920
PNG
(CHEMBL3951018)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL27-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50374694
PNG
(CHEMBL409727)
Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCCCC1 |w:1.0|
Show InChI InChI=1S/C23H25N5O3S/c1-13-11-24-22(31)19-9-14-7-8-15(10-18(14)28(13)19)20(29)27-23-26-17(12-32-23)21(30)25-16-5-3-2-4-6-16/h7-10,12-13,16H,2-6,11H2,1H3,(H,24,31)(H,25,30)(H,26,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50199075
PNG
(CHEMBL3918664)
Show SMILES CC1CCCCN1C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL27-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
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
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)
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50198921
PNG
(CHEMBL3889627)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in HEK cells assessed as inhibition of human CCL27-dependent cAMP production


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Mus musculus)
BDBM50198921
PNG
(CHEMBL3889627)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of CCL27-dependent calcium flux in p...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50199076
PNG
(CHEMBL3909737)
Show SMILES O=C(C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12)N1CCCCCC1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL27-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
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 
KEGG
PC cid
PC sid
UniChem
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))
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

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))
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

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)
C-C chemokine receptor type 10


(Homo sapiens (Human))
BDBM50199029
PNG
(CHEMBL3959737)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL27-dependent calcium flu...


Bioorg Med Chem Lett 26: 5277-5283 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.047
BindingDB Entry DOI: 10.7270/Q2KD20WF
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50302163
PNG
(3-amino-6-(4-aminopiperidin-1-yl)-4-propylthieno[2...)
Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(N)CC1
Show InChI InChI=1S/C16H23N5OS/c1-2-3-9-8-11(21-6-4-10(17)5-7-21)20-16-12(9)13(18)14(23-16)15(19)22/h8,10H,2-7,17-18H2,1H3,(H2,19,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay


Bioorg Med Chem Lett 19: 5547-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.054
BindingDB Entry DOI: 10.7270/Q22Z16G1
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50302174
PNG
(3-amino-6-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-4...)
Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(O)C(C)(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-4-5-10-8-12(22-7-6-11(23)18(2,3)9-22)21-17-13(10)14(19)15(25-17)16(20)24/h8,11,23H,4-7,9,19H2,1-3H3,(H2,20,24)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay


Bioorg Med Chem Lett 19: 5547-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.054
BindingDB Entry DOI: 10.7270/Q22Z16G1
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 435 total )  |  Next  |  Last  >>
Jump to: