new BindingDB logo
myBDB logout

BDBM50311954 6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-methylpiperazin-1-ylsulfonyl)styryl)nicotinonitrile::CHEMBL1080995

SMILES: CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1

InChI Key: InChIKey=KRMLZRDHQHQPJW-BQYQJAHWSA-N

Data: 22 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50311954   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCeta


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
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 0.440n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
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 65n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
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 36n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCepsilon


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
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>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
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>1.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCK


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of LYN A


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of SRC


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FYN


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GCK


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
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>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
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>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P38alpha


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
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>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
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>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of RSk1


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM50311954
PNG
(6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CK1gamma1


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair