Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50021276
Substrate
n/a
Meas. Tech.
ChEMBL_1366289 (CHEMBL3297622)
Kd
40±n/a nM
Citation
 Fader, LD; Carson, R; Morin, S; Bilodeau, F; Chabot, C; Halmos, T; Bailey, MD; Kawai, SH; Coulombe, R; Laplante, S; Mekhssian, K; Jakalian, A; Garneau, M; Duan, J; Mason, SW; Simoneau, B; Fenwick, C; Tsantrizos, Y; Yoakim, C Minimizing the Contribution of Enterohepatic Recirculation to Clearance in Rat for the NCINI Class of Inhibitors of HIV. ACS Med Chem Lett 5:711-6 (2014) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50021276
Synonyms:
CHEMBL3287912
Type:
Small organic molecule
Emp. Form.:
C28H31NO4
Mol. Mass.:
445.55
SMILES:
Cc1nc(c(C)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O)-c1ccccc1 |r|
Structure:
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