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BDBM50124531 4-[4'-amino-5'-fluorospiro[hexahydropyridine-4,2'-(1',2'-dihydroquinazoline)]-1-ylcarbonyl]benzonitrile::CHEMBL367556

SMILES: NC1=NC2(CCN(CC2)C(=O)c2ccc(cc2)C#N)Nc2cccc(F)c12

InChI Key: InChIKey=GROLIDJOEMLLED-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50124531   
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, brain


(Homo sapiens (Human))
BDBM50124531
PNG
(4-[4'-amino-5'-fluorospiro[hexahydropyridine-4,2'-...)
Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(cc2)C#N)Nc2cccc(F)c12
Show InChI InChI=1S/C20H18FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-11H2,(H2,23,25)
PDB
MMDB

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50124531
PNG
(4-[4'-amino-5'-fluorospiro[hexahydropyridine-4,2'-...)
Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(cc2)C#N)Nc2cccc(F)c12
Show InChI InChI=1S/C20H18FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-11H2,(H2,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human inducible nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair