BindingDB logo
myBDB logout

BDBM50130036 CHEMBL3629279

SMILES: Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cncnc4)c(F)c3)c12

InChI Key: InChIKey=HEDMPIZYYJEXOE-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 = 50130036   
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))
BDBM50130036
PNG
(CHEMBL3629279)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cncnc4)c(F)c3)c12
Show InChI InChI=1S/C18H14FN7O/c1-10-5-22-17-15(10)16(23-9-24-17)11-2-3-14(13(19)4-11)26-18(27)25-12-6-20-8-21-7-12/h2-9H,1H3,(H,22,23,24)(H2,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/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)


Article DOI: 10.1016/j.bmc.2015.10.041
BindingDB Entry DOI: 10.7270/Q2Q81FW9
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50130036
PNG
(CHEMBL3629279)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cncnc4)c(F)c3)c12
Show InChI InChI=1S/C18H14FN7O/c1-10-5-22-17-15(10)16(23-9-24-17)11-2-3-14(13(19)4-11)26-18(27)25-12-6-20-8-21-7-12/h2-9H,1H3,(H,22,23,24)(H2,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+3n/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)


Article DOI: 10.1016/j.bmc.2015.10.041
BindingDB Entry DOI: 10.7270/Q2Q81FW9
More data for this
Ligand-Target Pair