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BDBM50072724 CHEMBL3410033

SMILES: Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4nccs4)cc3)c12

InChI Key: InChIKey=ZEMZYSDKPKMAQL-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 = 50072724   
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))
BDBM50072724
PNG
(CHEMBL3410033)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4nccs4)cc3)c12
Show InChI InChI=1S/C17H14N6OS/c1-10-8-19-15-13(10)14(20-9-21-15)11-2-4-12(5-3-11)22-16(24)23-17-18-6-7-25-17/h2-9H,1H3,(H,19,20,21)(H2,18,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 203n/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))
BDBM50072724
PNG
(CHEMBL3410033)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4nccs4)cc3)c12
Show InChI InChI=1S/C17H14N6OS/c1-10-8-19-15-13(10)14(20-9-21-15)11-2-4-12(5-3-11)22-16(24)23-17-18-6-7-25-17/h2-9H,1H3,(H,19,20,21)(H2,18,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.29E+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