Reaction Details |
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Target | Nitric oxide synthase, inducible |
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Ligand | BDBM50148167 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_89199 (CHEMBL701150) |
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IC50 | 71.0±n/a nM |
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Citation | Connolly, S; Aberg, A; Arvai, A; Beaton, HG; Cheshire, DR; Cook, AR; Cooper, S; Cox, D; Hamley, P; Mallinder, P; Millichip, I; Nicholls, DJ; Rosenfeld, RJ; St-Gallay, SA; Tainer, J; Tinker, AC; Wallace, AV 2-aminopyridines as highly selective inducible nitric oxide synthase inhibitors. Differential binding modes dependent on nitrogen substitution. J Med Chem47:3320-3 (2004) [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: | HEP-NOS | Hepatocyte NOS | Inducible NO synthase | Inducible NOS | NOS type II | NOS2 | NOS2A | NOS2_HUMAN | Nitric oxide synthase, inducible (iNOS) | iNOS |
Type: | Homodimer |
Mol. Mass.: | 131141.95 |
Organism: | Homo sapiens (Human) |
Description: | P35228 |
Residue: | 1153 |
Sequence: | MACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLSKQQNESPQPL
VETGKKSPESLVKLDATPLSSPRHVRIKNWGSGMTFQDTLHHKAKGILTCRSKSCLGSIM
TPKSLTRGPRDKPTPPDELLPQAIEFVNQYYGSFKEAKIEEHLARVEAVTKEIETTGTYQ
LTGDELIFATKQAWRNAPRCIGRIQWSNLQVFDARSCSTAREMFEHICRHVRYSTNNGNI
RSAITVFPQRSDGKHDFRVWNAQLIRYAGYQMPDGSIRGDPANVEFTQLCIDLGWKPKYG
RFDVVPLVLQANGRDPELFEIPPDLVLEVAMEHPKYEWFRELELKWYALPAVANMLLEVG
GLEFPGCPFNGWYMGTEIGVRDFCDVQRYNILEEVGRRMGLETHKLASLWKDQAVVEINI
AVLHSFQKQNVTIMDHHSAAESFMKYMQNEYRSRGGCPADWIWLVPPMSGSITPVFHQEM
LNYVLSPFYYYQVEAWKTHVWQDEKRRPKRREIPLKVLVKAVLFACMLMRKTMASRVRVT
ILFATETGKSEALAWDLGALFSCAFNPKVVCMDKYRLSCLEEERLLLVVTSTFGNGDCPG
NGEKLKKSLFMLKELNNKFRYAVFGLGSSMYPRFCAFAHDIDQKLSHLGASQLTPMGEGD
ELSGQEDAFRSWAVQTFKAACETFDVRGKQHIQIPKLYTSNVTWDPHHYRLVQDSQPLDL
SKALSSMHAKNVFTMRLKSRQNLQSPTSSRATILVELSCEDGQGLNYLPGEHLGVCPGNQ
PALVQGILERVVDGPTPHQTVRLEALDESGSYWVSDKRLPPCSLSQALTYFLDITTPPTQ
LLLQKLAQVATEEPERQRLEALCQPSEYSKWKFTNSPTFLEVLEEFPSLRVSAGFLLSQL
PILKPRFYSISSSRDHTPTEIHLTVAVVTYHTRDGQGPLHHGVCSTWLNSLKPQDPVPCF
VRNASGFHLPEDPSHPCILIGPGTGIAPFRSFWQQRLHDSQHKGVRGGRMTLVFGCRRPD
EDHIYQEEMLEMAQKGVLHAVHTAYSRLPGKPKVYVQDILRQQLASEVLRVLHKEPGHLY
VCGDVRMARDVAHTLKQLVAAKLKLNEEQVEDYFFQLKSQKRYHEDIFGAVFPYEAKKDR
VAVQPSSLEMSAL
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BDBM50148167 |
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n/a |
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Name | BDBM50148167 |
Synonyms: | 4-(4-(4-methoxypyridin-2-ylamino)piperidine-1-carbonyl)benzonitrile | 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile | 4-[4-(4-Methoxy-pyridin-2-ylamino)-piperidine-1-carbonyl]-benzonitrile | 4-[4-[(4-Methoxypyridin-2-yl)amino]piperidine-1-carbonyl]benzonitrile, 12 | CHEMBL114500 |
Type | Small organic molecule |
Emp. Form. | C19H20N4O2 |
Mol. Mass. | 336.3877 |
SMILES | COc1ccnc(NC2CCN(CC2)C(=O)c2ccc(cc2)C#N)c1 |
Structure |
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