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Target
Nitric oxide synthase, endothelial
Ligand
BDBM29240
Substrate
BDBM10852
Meas. Tech.
Cell-Based NOS Transient Transfection Assay
Temperature
298.1500±n/a K
EC50
>100000±n/a nM
Comments
extracted
Citation
 Bonnefous, C; Payne, JE; Roppe, J; Zhuang, H; Chen, X; Symons, KT; Nguyen, PM; Sablad, M; Rozenkrants, N; Zhang, Y; Wang, L; Severance, D; Walsh, JP; Yazdani, N; Shiau, AK; Noble, SA; Rix, P; Rao, TS; Hassig, CA; Smith, ND Discovery of inducible nitric oxide synthase (iNOS) inhibitor development candidate KD7332, part 1: Identification of a novel, potent, and selective series of quinolinone iNOS dimerization inhibitors that are orally active in rodent pain models. J Med Chem 52:3047-62 (2009) [PubMed]  Article 
Target
Name:
Nitric oxide synthase, endothelial
Synonyms:
cNOS | Endothelial nitric oxide synthase | eNOS | Nitric oxide synthase (inducible and endothelial) | Endothelial NOS | EC-NOS | Nitric-oxide synthase (endothelial and brain) | NOS type III | Nitric oxide synthase, endothelial (eNOS) | Constitutive NOS | NOSIII | NOS3_HUMAN | NOS3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
133297.84
Organism:
Human
Description:
P29474
Residue:
1203
Sequence:
MGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAPEHSPPSSPLTQPPEGPKFPRVKNWEVGSITYDTLSAQAQQDGPCTPRRCLGSLVFPRKLQGRPSPGPPAPEQLLSQARDFINQYYSSIKRSGSQAHEQRLQEVEAEVAATGTYQLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCRSAQEMFTYICNHIKYATNRGNLRSAITVFPQRCPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDDPPELFLLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFPAAPFSGWYMSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINVAVLHSYQLAKVTIVDHHAATASFMKHLENEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYFLSPAFRYQPDPWKGSAAKGTGITRKKTFKEVANAVKISASLMGTVMAKRVKATILYGSETGRAQSYAQQLGRLFRKAFDPRVLCMDEYDVVSLEHETLVLVVTSTFGNGDPPENGESFAAALMEMSGPYNSSPRPEQHKSYKIRFNSISCSDPLVSSWRRKRKESSNTDSAGALGTLRFCVFGLGSRAYPHFCAFARAVDTRLEELGGERLLQLGQGDELCGQEEAFRGWAQAAFQAACETFCVGEDAKAAARDIFSPKRSWKRQRYRLSAQAEGLQLLPGLIHVHRRKMFQATIRSVENLQSSKSTRATILVRLDTGGQEGLQYQPGDHIGVCPPNRPGLVEALLSRVEDPPAPTEPVAVEQLEKGSPGGPPPGWVRDPRLPPCTLRQALTFFLDITSPPSPQLLRLLSTLAEEPREQQELEALSQDPRRYEEWKWFRCPTLLEVLEQFPSVALPAPLLLTQLPLLQPRYYSVSSAPSTHPGEIHLTVAVLAYRTQDGLGPLHYGVCSTWLSQLKPGDPVPCFIRGAPSFRLPPDPSLPCILVGPGTGIAPFRGFWQERLHDIESKGLQPTPMTLVFGCRCSQLDHLYRDEVQNAQQRGVFGRVLTAFSREPDNPKTYVQDILRTELAAEVHRVLCLERGHMFVCGDVTMATNVLQTVQRILATEGDMELDEAGDVIGVLRDQQRYHEDIFGLTLRTQEVTSRIRTQSFSLQERQLRGAVPWAFDPPGSDTNSP
  
Inhibitor
Name:
BDBM29240
Synonyms:
quinolinone, 11
Type:
Small organic molecule
Emp. Form.:
C21H15ClFN3O2S
Mol. Mass.:
427.06
SMILES:
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1Cl
Structure:
Search PDB for entries with ligand similarity:
Substrate