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BDBM50004421 CHEMBL3238166

SMILES: C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1cc2cn[nH]c2cn1

InChI Key: InChIKey=ANMTYCAVHSXLKM-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50004421   
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


(Homo sapiens (human))
BDBM50004421
PNG
(CHEMBL3238166)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1cc2cn[nH]c2cn1
Show InChI InChI=1S/C19H24N8/c1-2-7-26(6-1)18-19(27-8-3-4-20-5-9-27)24-17(13-22-18)15-10-14-11-23-25-16(14)12-21-15/h10-13,20H,1-9H2,(H,23,25)
PDB
MMDB

NCI pathway
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



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50004421
PNG
(CHEMBL3238166)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1cc2cn[nH]c2cn1
Show InChI InChI=1S/C19H24N8/c1-2-7-26(6-1)18-19(27-8-3-4-20-5-9-27)24-17(13-22-18)15-10-14-11-23-25-16(14)12-21-15/h10-13,20H,1-9H2,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 416n/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK-2 in human GTM3 cells measured up to 2 days by cell impedance assay


Bioorg Med Chem Lett 24: 1875-9 (2014)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50004421
PNG
(CHEMBL3238166)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1cc2cn[nH]c2cn1
Show InChI InChI=1S/C19H24N8/c1-2-7-26(6-1)18-19(27-8-3-4-20-5-9-27)24-17(13-22-18)15-10-14-11-23-25-16(14)12-21-15/h10-13,20H,1-9H2,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)

More data for this
Ligand-Target Pair