| Reaction Details |
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 | Report a problem with these data |
| Target | Nitric oxide synthase, brain |
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| Ligand | BDBM50357687 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_785762 (CHEMBL1920782) |
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| IC50 | 230±n/a nM |
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| Citation |  Ramnauth, J; Speed, J; Maddaford, SP; Dove, P; Annedi, SC; Renton, P; Rakhit, S; Andrews, J; Silverman, S; Mladenova, G; Zinghini, S; Nair, S; Catalano, C; Lee, DK; De Felice, M; Porreca, F Design, synthesis, and biological evaluation of 3,4-dihydroquinolin-2(1H)-one and 1,2,3,4-tetrahydroquinoline-based selective human neuronal nitric oxide synthase (nNOS) inhibitors. J Med Chem54:5562-75 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Nitric oxide synthase, brain |
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| Name: | Nitric oxide synthase, brain |
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| Synonyms: | Bnos | N-NOS | NC-NOS | NOS | NOS type I nNOS | NOS1_RAT | Neuronal nitric oxide synthase | Neuronal nitric oxide synthase (nNOS) | Nitric Oxide Synthase, brain | Nitric oxide synthase (nNOS) | Nitric oxide synthase, brain (nNOS) | Nitric-oxide synthase, brain | Nitric-oxide synthase, brain (nNOS) | Nitrogen oxide synthase - neuronal | Nos1 | Peptidyl-cysteine S-nitrosylase NOS1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 160570.98 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | Recombinant nNOS overexpressed in E. coli was used in enzyme assays. |
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| Residue: | 1429 |
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| Sequence: | MEENTFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGGAAEQSGLIQA
GDIILAVNDRPLVDLSYDSALEVLRGIASETHVVLILRGPEGFTTHLETTFTGDGTPKTI
RVTQPLGPPTKAVDLSHQPSASKDQSLAVDRVTGLGNGPQHAQGHGQGAGSVSQANGVAI
DPTMKSTKANLQDIGEHDELLKEIEPVLSILNSGSKATNRGGPAKAEMKDTGIQVDRDLD
GKSHKAPPLGGDNDRVFNDLWGKDNVPVILNNPYSEKEQSPTSGKQSPTKNGSPSRCPRF
LKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPSQHTRKPEDVRTKDQLFPLAKE
FLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKHAWRNASRCVGRIQ
WSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGKHDFRVWNSQLI
RYAGYKQPDGSTLGDPANVQFTEICIQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPEL
VLEVPIRHPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCD
NSRYNILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATESFIK
HMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPDPWNTHVWKGTN
GTPTKRRAIGFKKLAEAVKFSAKLMGQAMAKRVKATILYATETGKSQAYAKTLCEIFKHA
FDAKAMSMEEYDIVHLEHEALVLVVTSTFGNGDPPENGEKFGCALMEMRHPNSVQEERKS
YKVRFNSVSSYSDSRKSSGDGPDLRDNFESTGPLANVRFSVFGLGSRAYPHFCAFGHAVD
TLLEELGGERILKMREGDELCGQEEAFRTWAKKVFKAACDVFCVGDDVNIEKPNNSLISN
DRSWKRNKFRLTYVAEAPDLTQGLSNVHKKRVSAARLLSRQNLQSPKFSRSTIFVRLHTN
GNQELQYQPGDHLGVFPGNHEDLVNALIERLEDAPPANHVVKVEMLEERNTALGVISNWK
DESRLPPCTIFQAFKYYLDITTPPTPLQLQQFASLATNEKEKQRLLVLSKGLQEYEEWKW
GKNPTMVEVLEEFPSIQMPATLLLTQLSLLQPRYYSISSSPDMYPDEVHLTVAIVSYHTR
DGEGPVHHGVCSSWLNRIQADDVVPCFVRGAPSFHLPRNPQVPCILVGPGTGIAPFRSFW
QQRQFDIQHKGMNPCPMVLVFGCRQSKIDHIYREETLQAKNKGVFRELYTAYSREPDRPK
KYVQDVLQEQLAESVYRALKEQGGHIYVCGDVTMAADVLKAIQRIMTQQGKLSEEDAGVF
ISRLRDDNRYHEDIFGVTLRTYEVTNRLRSESIAFIEESKKDADEVFSS
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| BDBM50357687 |
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| n/a |
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| Name | BDBM50357687 |
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| Synonyms: | CHEMBL1956112 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H28N4S |
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| Mol. Mass. | 368.539 |
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| SMILES | CN1CCC[C@H]1CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |r,w:18.20| |
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| Structure | 
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