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BDBM50072662 CHEMBL3407526

SMILES: CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)c1

InChI Key: InChIKey=RQNWXGYUSGVYME-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 = 50072662   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50072662
PNG
(CHEMBL3407526)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C24H23FN6O2/c1-13(2)29-23(32)16-5-4-6-17(9-16)30-24(33)31-19-8-7-15(10-18(19)25)21-20-14(3)11-26-22(20)28-12-27-21/h4-13H,1-3H3,(H,29,32)(H,26,27,28)(H2,30,31,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 781n/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
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50072662
PNG
(CHEMBL3407526)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C24H23FN6O2/c1-13(2)29-23(32)16-5-4-6-17(9-16)30-24(33)31-19-8-7-15(10-18(19)25)21-20-14(3)11-26-22(20)28-12-27-21/h4-13H,1-3H3,(H,29,32)(H,26,27,28)(H2,30,31,33)
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 2.39E+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
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50072662
PNG
(CHEMBL3407526)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C24H23FN6O2/c1-13(2)29-23(32)16-5-4-6-17(9-16)30-24(33)31-19-8-7-15(10-18(19)25)21-20-14(3)11-26-22(20)28-12-27-21/h4-13H,1-3H3,(H,29,32)(H,26,27,28)(H2,30,31,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/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
LIM domain kinase 1


(Rattus norvegicus)
BDBM50072662
PNG
(CHEMBL3407526)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C24H23FN6O2/c1-13(2)29-23(32)16-5-4-6-17(9-16)30-24(33)31-19-8-7-15(10-18(19)25)21-20-14(3)11-26-22(20)28-12-27-21/h4-13H,1-3H3,(H,29,32)(H,26,27,28)(H2,30,31,33)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/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