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BDBM50130039 CHEMBL3629276

SMILES: COc1ccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)cc1

InChI Key: InChIKey=GKSKIDCXRNOUPX-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50130039   
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))
BDBM50130039
PNG
(CHEMBL3629276)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)cc1
Show InChI InChI=1S/C21H18FN5O2/c1-12-10-23-20-18(12)19(24-11-25-20)13-3-8-17(16(22)9-13)27-21(28)26-14-4-6-15(29-2)7-5-14/h3-11H,1-2H3,(H,23,24,25)(H2,26,27,28)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 10n/an/an/an/an/an/a



Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) using 1 uM cofilin as substrate


Bioorg Med Chem 23: 7464-77 (2015)


BindingDB Entry DOI: 10.7270/Q2Q81FW9
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50130039
PNG
(CHEMBL3629276)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)cc1
Show InChI InChI=1S/C21H18FN5O2/c1-12-10-23-20-18(12)19(24-11-25-20)13-3-8-17(16(22)9-13)27-21(28)26-14-4-6-15(29-2)7-5-14/h3-11H,1-2H3,(H,23,24,25)(H2,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs using 1 uM STK2 as substrate


Bioorg Med Chem 23: 7464-77 (2015)


BindingDB Entry DOI: 10.7270/Q2Q81FW9
More data for this
Ligand-Target Pair