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BDBM50072723 CHEMBL3410032

SMILES: COc1ccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1

InChI Key: InChIKey=CAFZZJQYJOMPAV-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 = 50072723   
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))
BDBM50072723
PNG
(CHEMBL3410032)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1
Show InChI InChI=1S/C21H19N5O2/c1-13-11-22-20-18(13)19(23-12-24-20)14-3-5-15(6-4-14)25-21(27)26-16-7-9-17(28-2)10-8-16/h3-12H,1-2H3,(H,22,23,24)(H2,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/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))
BDBM50072723
PNG
(CHEMBL3410032)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1
Show InChI InChI=1S/C21H19N5O2/c1-13-11-22-20-18(13)19(23-12-24-20)14-3-5-15(6-4-14)25-21(27)26-16-7-9-17(28-2)10-8-16/h3-12H,1-2H3,(H,22,23,24)(H2,25,26,27)
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