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BDBM50072672 CHEMBL3410056

SMILES: COCCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1

InChI Key: InChIKey=OBXKCXDQQXDOSZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50072672   
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
LIM domain kinase 1


(Rattus norvegicus)
BDBM50072672
PNG
(CHEMBL3410056)
Show SMILES COCCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClFN5O2/c1-14-15(2)29-23-21(14)22(27-13-28-23)16-4-9-20(19(26)12-16)30-24(32)31(10-11-33-3)18-7-5-17(25)6-8-18/h4-9,12-13H,10-11H2,1-3H3,(H,30,32)(H,27,28,29)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50072672
PNG
(CHEMBL3410056)
Show SMILES COCCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClFN5O2/c1-14-15(2)29-23-21(14)22(27-13-28-23)16-4-9-20(19(26)12-16)30-24(32)31(10-11-33-3)18-7-5-17(25)6-8-18/h4-9,12-13H,10-11H2,1-3H3,(H,30,32)(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human JNK3 using ATF2 substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50072672
PNG
(CHEMBL3410056)
Show SMILES COCCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClFN5O2/c1-14-15(2)29-23-21(14)22(27-13-28-23)16-4-9-20(19(26)12-16)30-24(32)31(10-11-33-3)18-7-5-17(25)6-8-18/h4-9,12-13H,10-11H2,1-3H3,(H,30,32)(H,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ROCK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK peptide substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072672
PNG
(CHEMBL3410056)
Show SMILES COCCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClFN5O2/c1-14-15(2)29-23-21(14)22(27-13-28-23)16-4-9-20(19(26)12-16)30-24(32)31(10-11-33-3)18-7-5-17(25)6-8-18/h4-9,12-13H,10-11H2,1-3H3,(H,30,32)(H,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair