Reaction Details |
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Target | Nitric oxide synthase, endothelial |
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Ligand | BDBM50394742 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_859157 (CHEMBL2169573) |
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IC50 | 22500±n/a nM |
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Citation | Ramnauth, J; Renton, P; Dove, P; Annedi, SC; Speed, J; Silverman, S; Mladenova, G; Maddaford, SP; Zinghini, S; Rakhit, S; Andrews, J; Lee, DK; Zhang, D; Porreca, F 1,2,3,4-tetrahydroquinoline-based selective human neuronal nitric oxide synthase (nNOS) inhibitors: lead optimization studies resulting in the identification of N-(1-(2-(methylamino)ethyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide as a preclinical development candidate. J Med Chem55:2882-93 (2012) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Nitric oxide synthase, endothelial |
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Name: | Nitric oxide synthase, endothelial |
Synonyms: | Constitutive NOS | EC-NOS | Endothelial NOS | Endothelial nitric oxide synthase | NOS type III | NOS3 | NOS3_HUMAN | NOSIII | Nitric oxide synthase (inducible and endothelial) | Nitric oxide synthase, endothelial (eNOS) | Nitric-oxide synthase (endothelial and brain) | cNOS | eNOS |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 133297.84 |
Organism: | Homo sapiens (Human) |
Description: | P29474 |
Residue: | 1203 |
Sequence: | MGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAPEHSPPSSPLT
QPPEGPKFPRVKNWEVGSITYDTLSAQAQQDGPCTPRRCLGSLVFPRKLQGRPSPGPPAP
EQLLSQARDFINQYYSSIKRSGSQAHEQRLQEVEAEVAATGTYQLRESELVFGAKQAWRN
APRCVGRIQWGKLQVFDARDCRSAQEMFTYICNHIKYATNRGNLRSAITVFPQRCPGRGD
FRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDDPP
ELFLLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFPAAPFSGWYMST
EIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINVAVLHSYQLAKVTIVDH
HAATASFMKHLENEQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYFLSPAFRYQPDPW
KGSAAKGTGITRKKTFKEVANAVKISASLMGTVMAKRVKATILYGSETGRAQSYAQQLGR
LFRKAFDPRVLCMDEYDVVSLEHETLVLVVTSTFGNGDPPENGESFAAALMEMSGPYNSS
PRPEQHKSYKIRFNSISCSDPLVSSWRRKRKESSNTDSAGALGTLRFCVFGLGSRAYPHF
CAFARAVDTRLEELGGERLLQLGQGDELCGQEEAFRGWAQAAFQAACETFCVGEDAKAAA
RDIFSPKRSWKRQRYRLSAQAEGLQLLPGLIHVHRRKMFQATIRSVENLQSSKSTRATIL
VRLDTGGQEGLQYQPGDHIGVCPPNRPGLVEALLSRVEDPPAPTEPVAVEQLEKGSPGGP
PPGWVRDPRLPPCTLRQALTFFLDITSPPSPQLLRLLSTLAEEPREQQELEALSQDPRRY
EEWKWFRCPTLLEVLEQFPSVALPAPLLLTQLPLLQPRYYSVSSAPSTHPGEIHLTVAVL
AYRTQDGLGPLHYGVCSTWLSQLKPGDPVPCFIRGAPSFRLPPDPSLPCILVGPGTGIAP
FRGFWQERLHDIESKGLQPTPMTLVFGCRCSQLDHLYRDEVQNAQQRGVFGRVLTAFSRE
PDNPKTYVQDILRTELAAEVHRVLCLERGHMFVCGDVTMATNVLQTVQRILATEGDMELD
EAGDVIGVLRDQQRYHEDIFGLTLRTQEVTSRIRTQSFSLQERQLRGAVPWAFDPPGSDT
NSP
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BDBM50394742 |
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n/a |
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Name | BDBM50394742 |
Synonyms: | CHEMBL2165824 |
Type | Small organic molecule |
Emp. Form. | C18H24N4S |
Mol. Mass. | 328.475 |
SMILES | CNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12 |
Structure |
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