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SMILES: Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCc1cccc(Cl)c1

InChI Key: InChIKey=IWZHMHULYNVWPG-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 = 316104   
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))
BDBM316104
PNG
(US9616064, Compound 30c)
Show SMILES Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C20H16ClN5O/c21-14-4-1-3-13(11-14)12-24-19(27)16-5-2-6-17-15(16)8-10-26(17)18-7-9-23-20(22)25-18/h1-11H,12H2,(H,24,27)(H2,22,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 720n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent




US Patent US9616064 (2017)


BindingDB Entry DOI: 10.7270/Q2KD2106
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM316104
PNG
(US9616064, Compound 30c)
Show SMILES Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C20H16ClN5O/c21-14-4-1-3-13(11-14)12-24-19(27)16-5-2-6-17-15(16)8-10-26(17)18-7-9-23-20(22)25-18/h1-11H,12H2,(H,24,27)(H2,22,23,25)
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 6.80E+3n/an/an/an/an/an/a



H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

US Patent


Assay Description
The inventors undertook a screen of the NCI Diversity set using a Z-lyte FRET assay (Kang et al. (2009); Wu et al. (2010)) to measure kinase inhibiti...


US Patent US9616064 (2017)


BindingDB Entry DOI: 10.7270/Q2KD2106
More data for this
Ligand-Target Pair