Reaction Details Report a problem with these data
Target
Nitric oxide synthase, inducible
Ligand
BDBM50401271
Substrate
n/a
Meas. Tech.
ChEMBL_882959 (CHEMBL2209793)
IC50
40500±n/a nM
Citation
 Annedi, SC; Maddaford, SP; Ramnauth, J; Renton, P; Rybak, T; Silverman, S; Rakhit, S; Mladenova, G; Dove, P; Andrews, JS; Zhang, D; Porreca, F Discovery of a potent, orally bioavailable and highly selective human neuronal nitric oxide synthase (nNOS) inhibitor, N-(1-(piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide as a pre-clinical development candidate for the treatment of migraine. Eur J Med Chem 55:94-107 (2012) [PubMed]  Article 
Target
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:
MACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLSKQQNESPQPLVETGKKSPESLVKLDATPLSSPRHVRIKNWGSGMTFQDTLHHKAKGILTCRSKSCLGSIMTPKSLTRGPRDKPTPPDELLPQAIEFVNQYYGSFKEAKIEEHLARVEAVTKEIETTGTYQLTGDELIFATKQAWRNAPRCIGRIQWSNLQVFDARSCSTAREMFEHICRHVRYSTNNGNIRSAITVFPQRSDGKHDFRVWNAQLIRYAGYQMPDGSIRGDPANVEFTQLCIDLGWKPKYGRFDVVPLVLQANGRDPELFEIPPDLVLEVAMEHPKYEWFRELELKWYALPAVANMLLEVGGLEFPGCPFNGWYMGTEIGVRDFCDVQRYNILEEVGRRMGLETHKLASLWKDQAVVEINIAVLHSFQKQNVTIMDHHSAAESFMKYMQNEYRSRGGCPADWIWLVPPMSGSITPVFHQEMLNYVLSPFYYYQVEAWKTHVWQDEKRRPKRREIPLKVLVKAVLFACMLMRKTMASRVRVTILFATETGKSEALAWDLGALFSCAFNPKVVCMDKYRLSCLEEERLLLVVTSTFGNGDCPGNGEKLKKSLFMLKELNNKFRYAVFGLGSSMYPRFCAFAHDIDQKLSHLGASQLTPMGEGDELSGQEDAFRSWAVQTFKAACETFDVRGKQHIQIPKLYTSNVTWDPHHYRLVQDSQPLDLSKALSSMHAKNVFTMRLKSRQNLQSPTSSRATILVELSCEDGQGLNYLPGEHLGVCPGNQPALVQGILERVVDGPTPHQTVRLEALDESGSYWVSDKRLPPCSLSQALTYFLDITTPPTQLLLQKLAQVATEEPERQRLEALCQPSEYSKWKFTNSPTFLEVLEEFPSLRVSAGFLLSQLPILKPRFYSISSSRDHTPTEIHLTVAVVTYHTRDGQGPLHHGVCSTWLNSLKPQDPVPCFVRNASGFHLPEDPSHPCILIGPGTGIAPFRSFWQQRLHDSQHKGVRGGRMTLVFGCRRPDEDHIYQEEMLEMAQKGVLHAVHTAYSRLPGKPKVYVQDILRQQLASEVLRVLHKEPGHLYVCGDVRMARDVAHTLKQLVAAKLKLNEEQVEDYFFQLKSQKRYHEDIFGAVFPYEAKKDRVAVQPSSLEMSAL
  
Inhibitor
Name:
BDBM50401271
Synonyms:
CHEMBL2203713 | CHEMBL3216328
Type:
Small organic molecule
Emp. Form.:
C18H24Cl2N4S
Mol. Mass.:
399.381
SMILES:
Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Structure:
Search PDB for entries with ligand similarity: