Reaction Details Report a problem with these data
Target
Receptor-interacting serine/threonine-protein kinase 1
Ligand
BDBM50446278
Substrate
n/a
Meas. Tech.
ChEBML_1569442
IC50
500±n/a nM
Citation
 Harris, PA; King, BW; Bandyopadhyay, D; Berger, SB; Campobasso, N; Capriotti, CA; Cox, JA; Dare, L; Dong, X; Finger, JN; Grady, LC; Hoffman, SJ; Jeong, JU; Kang, J; Kasparcova, V; Lakdawala, AS; Lehr, R; McNulty, DE; Nagilla, R; Ouellette, MT; Pao, CS; Rendina, AR; Schaeffer, MC; Summerfield, JD; Swift, BA; Totoritis, RD; Ward, P; Zhang, A; Zhang, D; Marquis, RW; Bertin, J; Gough, PJ DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors. J Med Chem 59:2163-78 (2016) [PubMed]  Article 
Target
Name:
Receptor-interacting serine/threonine-protein kinase 1
Synonyms:
Cell death protein RIP | RIP | RIP-1 | RIP1 | RIPK1 | RIPK1_HUMAN | Receptor-interacting protein 1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
75926.99
Organism:
Homo sapiens (Human)
Description:
Q13546
Residue:
671
Sequence:
MQPDMSLNVIKMKSSDFLESAELDSGGFGKVSLCFHRTQGLMIMKTVYKGPNCIEHNEALLEEAKMMNRLRHSRVVKLLGVIIEEGKYSLVMEYMEKGNLMHVLKAEMSTPLSVKGRIILEIIEGMCYLHGKGVIHKDLKPENILVDNDFHIKIADLGLASFKMWSKLNNEEHNELREVDGTAKKNGGTLYYMAPEHLNDVNAKPTEKSDVYSFAVVLWAIFANKEPYENAICEQQLIMCIKSGNRPDVDDITEYCPREIISLMKLCWEANPEARPTFPGIEEKFRPFYLSQLEESVEEDVKSLKKEYSNENAVVKRMQSLQLDCVAVPSSRSNSATEQPGSLHSSQGLGMGPVEESWFAPSLEHPQEENEPSLQSKLQDEANYHLYGSRMDRQTKQQPRQNVAYNREEERRRRVSHDPFAQQRPYENFQNTEGKGTAYSSAASHGNAVHQPSGLTSQPQVLYQNNGLYSSHGFGTRPLDPGTAGPRVWYRPIPSHMPSLHNIPVPETNYLGNTPTMPFSSLPPTDESIKYTIYNSTGIQIGAYNYMEIGGTSSSLLDSTNTNFKEEPAAKYQAIFDNTTSLTDKHLDPIRENLGKHWKNCARKLGFTQSQIDEIDHDYERDGLKEKVYQMLQKWVMREGIKGATVGKLAQALHQCSRIDLLSSLIYVSQN
  
Inhibitor
Name:
BDBM50446278
Synonyms:
CHEMBL3109202
Type:
Small organic molecule
Emp. Form.:
C23H23N5O2
Mol. Mass.:
401.461
SMILES:
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cccc3c(N)nccc23)no1
Structure:
Search PDB for entries with ligand similarity: