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BDBM50072829 CHEMBL3410039

SMILES: Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(F)cc4)cc3)c12

InChI Key: InChIKey=FCMRBYJIHLJQSI-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 = 50072829   
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


(Homo sapiens (Human))
BDBM50072829
PNG
(CHEMBL3410039)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(F)cc4)cc3)c12
Show InChI InChI=1S/C22H20FN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-2-6-17(7-3-15)27-22(30)28(10-11-29)18-8-4-16(23)5-9-18/h2-9,12-13,29H,10-11H2,1H3,(H,27,30)(H,24,25,26)
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n/an/a 86n/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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50072829
PNG
(CHEMBL3410039)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(F)cc4)cc3)c12
Show InChI InChI=1S/C22H20FN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-2-6-17(7-3-15)27-22(30)28(10-11-29)18-8-4-16(23)5-9-18/h2-9,12-13,29H,10-11H2,1H3,(H,27,30)(H,24,25,26)
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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 1


(Homo sapiens (Human))
BDBM50072829
PNG
(CHEMBL3410039)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(F)cc4)cc3)c12
Show InChI InChI=1S/C22H20FN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-2-6-17(7-3-15)27-22(30)28(10-11-29)18-8-4-16(23)5-9-18/h2-9,12-13,29H,10-11H2,1H3,(H,27,30)(H,24,25,26)
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n/an/a 3.92E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ROCK1 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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50072829
PNG
(CHEMBL3410039)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(F)cc4)cc3)c12
Show InChI InChI=1S/C22H20FN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-2-6-17(7-3-15)27-22(30)28(10-11-29)18-8-4-16(23)5-9-18/h2-9,12-13,29H,10-11H2,1H3,(H,27,30)(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.24E+3n/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