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BDBM50072729 CHEMBL3410051

SMILES: COc1ccc(cc1)N(CCN(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12

InChI Key: InChIKey=IFMNGABKTBLAQL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50072729   
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))
BDBM50072729
PNG
(CHEMBL3410051)
Show SMILES COc1ccc(cc1)N(CCN(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C25H28N6O2/c1-17-15-26-24-22(17)23(27-16-28-24)18-5-7-19(8-6-18)29-25(32)31(14-13-30(2)3)20-9-11-21(33-4)12-10-20/h5-12,15-16H,13-14H2,1-4H3,(H,29,32)(H,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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 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))
BDBM50072729
PNG
(CHEMBL3410051)
Show SMILES COc1ccc(cc1)N(CCN(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C25H28N6O2/c1-17-15-26-24-22(17)23(27-16-28-24)18-5-7-19(8-6-18)29-25(32)31(14-13-30(2)3)20-9-11-21(33-4)12-10-20/h5-12,15-16H,13-14H2,1-4H3,(H,29,32)(H,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/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