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BDBM29251 quinolinone, 22

SMILES: Cc1cccnc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1

InChI Key: InChIKey=GADRQTVODGOWDX-UHFFFAOYSA-N

Data: 3 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 = 29251   
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
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM29251
PNG
(quinolinone, 22)
Show SMILES Cc1cccnc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C23H17ClFN3O2/c1-14-5-4-10-26-21(14)23(30)28(17-7-2-6-16(24)12-17)13-15-11-20(29)27-22-18(15)8-3-9-19(22)25/h2-12H,13H2,1H3,(H,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 420n/an/an/a25



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


J Med Chem 52: 3047-62 (2009)


Article DOI: 10.1021/jm900173b
BindingDB Entry DOI: 10.7270/Q2D798RB
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM29251
PNG
(quinolinone, 22)
Show SMILES Cc1cccnc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C23H17ClFN3O2/c1-14-5-4-10-26-21(14)23(30)28(17-7-2-6-16(24)12-17)13-15-11-20(29)27-22-18(15)8-3-9-19(22)25/h2-12H,13H2,1H3,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 4.10E+3n/an/an/a25



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


J Med Chem 52: 3047-62 (2009)


Article DOI: 10.1021/jm900173b
BindingDB Entry DOI: 10.7270/Q2D798RB
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM29251
PNG
(quinolinone, 22)
Show SMILES Cc1cccnc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C23H17ClFN3O2/c1-14-5-4-10-26-21(14)23(30)28(17-7-2-6-16(24)12-17)13-15-11-20(29)27-22-18(15)8-3-9-19(22)25/h2-12H,13H2,1H3,(H,27,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/a25



Kalypsys Inc.



Assay Description
HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated...


J Med Chem 52: 3047-62 (2009)


Article DOI: 10.1021/jm900173b
BindingDB Entry DOI: 10.7270/Q2D798RB
More data for this
Ligand-Target Pair