Reaction Details Report a problem with these data
Target
Interleukin-1 receptor type 1
Ligand
BDBM50516677
Substrate
n/a
Meas. Tech.
ChEMBL_1866467 (CHEMBL4367442)
IC50
>10000±n/a nM
Citation
 Haile, PA; Casillas, LN; Votta, BJ; Wang, GZ; Charnley, AK; Dong, X; Bury, MJ; Romano, JJ; Mehlmann, JF; King, BW; Erhard, KF; Hanning, CR; Lipshutz, DB; Desai, BM; Capriotti, CA; Schaeffer, MC; Berger, SB; Mahajan, MK; Reilly, MA; Nagilla, R; Rivera, EJ; Sun, HH; Kenna, JK; Beal, AM; Ouellette, MT; Kelly, M; Stemp, G; Convery, MA; Vossenkämper, A; MacDonald, TT; Gough, PJ; Bertin, J; Marquis, RW Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[ J Med Chem 62:6482-6494 (2019) [PubMed]  Article 
Target
Name:
Interleukin-1 receptor type 1
Synonyms:
CD121 antigen-like family member A | CD_antigen=CD121a | IL-1R-1 | IL-1R-alpha | IL-1RT-1 | IL-1RT1 | IL1R | IL1R1 | IL1R1_HUMAN | IL1RA | IL1RT1 | Interleukin-1 receptor alpha | Interleukin-1 receptor type 1 | Interleukin-1 receptor type 1, membrane form | Interleukin-1 receptor type 1, soluble form | Interleukin-1 receptor type I | mIL-1R1 | mIL-1RI | p80 | sIL-1R1 | sIL-1RI
Type:
PROTEIN
Mol. Mass.:
65411.77
Organism:
Homo sapiens
Description:
ChEMBL_198
Residue:
569
Sequence:
MKVLLRLICFIALLISSLEADKCKEREEKIILVSSANEIDVRPCPLNPNEHKGTITWYKDDSKTPVSTEQASRIHQHKEKLWFVPAKVEDSGHYYCVVRNSSYCLRIKISAKFVENEPNLCYNAQAIFKQKLPVAGDGGLVCPYMEFFKNENNELPKLQWYKDCKPLLLDNIHFSGVKDRLIVMNVAEKHRGNYTCHASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLICNVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKHPFTCFAKNTHGIDAAYIQLIYPVTNFQKHMIGICVTLTVIIVCSVFIYKIFKIDIVLWYRDSCYDFLPIKASDGKTYDAYILYPKTVGEGSTSDCDIFVFKVLPEVLEKQCGYKLFIYGRDDYVGEDIVEVINENVKKSRRLIIILVRETSGFSWLGGSSEEQIAMYNALVQDGIKVVLLELEKIQDYEKMPESIKFIKQKHGAIRWSGDFTQGPQSAKTRFWKNVRYHMPVQRRSPSSKHQLLSPATKEKLQREAHVPLG
  
Inhibitor
Name:
BDBM50516677
Synonyms:
CHEMBL4514780
Type:
Small organic molecule
Emp. Form.:
C21H22N4O4S2
Mol. Mass.:
458.554
SMILES:
CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO
Structure:
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