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SMILES: Clc1ccc2[nH]nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1

InChI Key: InChIKey=GTDAGEODJGACPV-UHFFFAOYSA-N

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 = 380119   
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))
BDBM380119
PNG
(5-chloro-N-[4-(4-oxo- 3,4-dihydrophthalazin-1- yl)...)
Show SMILES Clc1ccc2[nH]nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Show InChI InChI=1S/C22H14ClN5O2/c23-13-7-10-18-17(11-13)20(27-25-18)22(30)24-14-8-5-12(6-9-14)19-15-3-1-2-4-16(15)21(29)28-26-19/h1-11H,(H,24,30)(H,25,27)(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q2445PSQ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM380119
PNG
(5-chloro-N-[4-(4-oxo- 3,4-dihydrophthalazin-1- yl)...)
Show SMILES Clc1ccc2[nH]nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Show InChI InChI=1S/C22H14ClN5O2/c23-13-7-10-18-17(11-13)20(27-25-18)22(30)24-14-8-5-12(6-9-14)19-15-3-1-2-4-16(15)21(29)28-26-19/h1-11H,(H,24,30)(H,25,27)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...


J Med Chem 51: 3437-48 (2008)


BindingDB Entry DOI: 10.7270/Q2445PSQ
More data for this
Ligand-Target Pair