Reaction Details Report a problem with these data
Target
Nuclear receptor subfamily 1 group I member 3
Ligand
BDBM50513517
Substrate
n/a
Meas. Tech.
ChEMBL_1853466 (CHEMBL4354090)
EC50
560±n/a nM
Citation
 Liang, D; Li, L; Lynch, C; Mackowiak, B; Hedrich, WD; Ai, Y; Yin, Y; Heyward, S; Xia, M; Wang, H; Xue, F Human constitutive androstane receptor agonist DL5016: A novel sensitizer for cyclophosphamide-based chemotherapies. Eur J Med Chem 179:84-99 (2019) [PubMed]  Article 
Target
Name:
Nuclear receptor subfamily 1 group I member 3
Synonyms:
CAR | NR1I3 | NR1I3_HUMAN
Type:
PROTEIN
Mol. Mass.:
39953.17
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1434936
Residue:
352
Sequence:
MASREDELRNCVVCGDQATGYHFNALTCEGCKGFFRRTVSKSIGPTCPFAGSCEVSKTQRRHCPACRLQKCLDAGMRKDMILSAEALALRRAKQAQRRAQQTPVQLSKEQEELIRTLLGAHTRHMGTMFEQFVQFRPPAHLFIHHQPLPTLAPVLPLVTHFADINTFMVLQVIKFTKDLPVFRSLPIEDQISLLKGAAVEICHIVLNTTFCLQTQNFLCGPLRYTIEDGARVSPTVGFQVEFLELLFHFHGTLRKLQLQEPEYVLLAAMALFSPDRPGVTQRDEIDQLQEEMALTLQSYIKGQQRRPRDRFLYAKLLGLLAELRSINEAYGYQIQHIQGLSAMMPLLQEICS
  
Inhibitor
Name:
BDBM50513517
Synonyms:
CHEMBL4577011
Type:
Small organic molecule
Emp. Form.:
C20H16BrCl2N3S
Mol. Mass.:
481.236
SMILES:
Clc1ccc(CCNCc2c(nc3sccn23)-c2ccc(Br)cc2)cc1Cl
Structure:
Search PDB for entries with ligand similarity: