Reaction Details |
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Target | Nitric oxide synthase, inducible |
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Ligand | BDBM50226527 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1738190 (CHEMBL4153940) |
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IC50 | 101±n/a nM |
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Citation | Maccallini, C; Di Matteo, M; Gallorini, M; Montagnani, M; Graziani, V; Ammazzalorso, A; Amoia, P; De Filippis, B; Di Silvestre, S; Fantacuzzi, M; Giampietro, L; Potenza, MA; Re, N; Pandolfi, A; Cataldi, A; Amoroso, R Discovery of N-{3-[(ethanimidoylamino)methyl]benzyl}-l-prolinamide dihydrochloride: A new potent and selective inhibitor of the inducible nitric oxide synthase as a promising agent for the therapy of malignant glioma. Eur J Med Chem152:53-64 (2018) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Nitric oxide synthase, inducible |
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Name: | Nitric oxide synthase, inducible |
Synonyms: | Inducible NO synthase | Inducible NOS | Inducible nitric oxide synthase (iNOS) | Inosl | MAC-NOS | Macrophage NOS | NOS type II | NOS2_MOUSE | Nitric Oxide Synthase, inducible | Nitric oxide synthase, inducible (iNOS) | Nos2 |
Type: | Enzyme |
Mol. Mass.: | 130595.79 |
Organism: | Mus musculus (mouse) |
Description: | Recombinant enzyme overexpressed in E. coli. |
Residue: | 1144 |
Sequence: | MACPWKFLFKVKSYQSDLKEEKDINNNVKKTPCAVLSPTIQDDPKSHQNGSPQLLTGTAQ
NVPESLDKLHVTSTRPQYVRIKNWGSGEILHDTLHHKATSDFTCKSKSCLGSIMNPKSLT
RGPRDKPTPLEELLPHAIEFINQYYGSFKEAKIEEHLARLEAVTKEIETTGTYQLTLDEL
IFATKMAWRNAPRCIGRIQWSNLQVFDARNCSTAQEMFQHICRHILYATNNGNIRSAITV
FPQRSDGKHDFRLWNSQLIRYAGYQMPDGTIRGDAATLEFTQLCIDLGWKPRYGRFDVLP
LVLQADGQDPEVFEIPPDLVLEVTMEHPKYEWFQELGLKWYALPAVANMLLEVGGLEFPA
CPFNGWYMGTEIGVRDFCDTQRYNILEEVGRRMGLETHTLASLWKDRAVTEINVAVLHSF
QKQNVTIMDHHTASESFMKHMQNEYRARGGCPADWIWLVPPVSGSITPVFHQEMLNYVLS
PFYYYQIEPWKTHIWQNEKLRPRRREIRFRVLVKVVFFASMLMRKVMASRVRATVLFATE
TGKSEALARDLATLFSYAFNTKVVCMDQYKASTLEEEQLLLVVTSTFGNGDCPSNGQTLK
KSLFMLRELNHTFRYAVFGLGSSMYPQFCAFAHDIDQKLSHLGASQLAPTGEGDELSGQE
DAFRSWAVQTFRAACETFDVRSKHHIQIPKRFTSNATWEPQQYRLIQSPEPLDLNRALSS
IHAKNVFTMRLKSQQNLQSEKSSRTTLLVQLTFEGSRGPSYLPGEHLGIFPGNQTALVQG
ILERVVDCPTPHQTVCLEVLDESGSYWVKDKRLPPCSLSQALTYFLDITTPPTQLQLHKL
ARFATDETDRQRLEALCQPSEYNDWKFSNNPTFLEVLEEFPSLHVPAAFLLSQLPILKPR
YYSISSSQDHTPSEVHLTVAVVTYRTRDGQGPLHHGVCSTWIRNLKPQDPVPCFVRSVSG
FQLPEDPSQPCILIGPGTGIAPFRSFWQQRLHDSQHKGLKGGRMSLVFGCRHPEEDHLYQ
EEMQEMVRKRVLFQVHTGYSRLPGKPKVYVQDILQKQLANEVLSVLHGEQGHLYICGDVR
MARDVATTLKKLVATKLNLSEEQVEDYFFQLKSQKRYHEDIFGAVFSYGAKKGSALEEPK
ATRL
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BDBM50226527 |
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n/a |
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Name | BDBM50226527 |
Synonyms: | CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | N-(3-(aminomethyl)benzyl)acetimidamide | N-(3-Aminomethyl-benzyl)-acetamidine | N-(3-aminomethyl)benzylacetimidamide | N-[3-(aminomethyl)benzyl]ethanimidamide | N-[[3-(aminomethyl)phenyl]methyl]-ethanimidamide | [N-(3-aminomethyl)benzylactamidine] |
Type | Small organic molecule |
Emp. Form. | C10H15N3 |
Mol. Mass. | 177.2462 |
SMILES | CC(N)=NCc1cccc(CN)c1 |w:3.3| |
Structure |
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