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BDBM50072663 CHEMBL3410027

SMILES: CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2OCCN(C)C)-c2ncnc3[nH]cc(C)c23)c1

InChI Key: InChIKey=YHPJIZMLBPMBAN-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50072663   
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))
BDBM50072663
PNG
(CHEMBL3410027)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2OCCN(C)C)-c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C28H33N7O3/c1-17(2)32-27(36)20-7-6-8-21(13-20)33-28(37)34-22-10-9-19(14-23(22)38-12-11-35(4)5)25-24-18(3)15-29-26(24)31-16-30-25/h6-10,13-17H,11-12H2,1-5H3,(H,32,36)(H,29,30,31)(H2,33,34,37)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 710n/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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50072663
PNG
(CHEMBL3410027)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2OCCN(C)C)-c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C28H33N7O3/c1-17(2)32-27(36)20-7-6-8-21(13-20)33-28(37)34-22-10-9-19(14-23(22)38-12-11-35(4)5)25-24-18(3)15-29-26(24)31-16-30-25/h6-10,13-17H,11-12H2,1-5H3,(H,32,36)(H,29,30,31)(H2,33,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.08E+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