Reaction Details Report a problem with these data
Target
Nuclear receptor subfamily 1 group I member 3
Ligand
BDBM50030476
Substrate
n/a
Meas. Tech.
ChEMBL_2026871 (CHEMBL4681029)
EC50
5.0±n/a nM
Citation
 Pellicciari, R; Passeri, D; De Franco, F; Mostarda, S; Filipponi, P; Colliva, C; Gadaleta, RM; Franco, P; Carotti, A; Macchiarulo, A; Roda, A; Moschetta, A; Gioiello, A Discovery of 3?,7?,11?-Trihydroxy-6?-ethyl-5?-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders. J Med Chem 59:9201-9214 (2016) [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:
BDBM50030476
Synonyms:
CHEMBL458603
Type:
Small organic molecule
Emp. Form.:
C19H12Cl3N3OS
Mol. Mass.:
436.742
SMILES:
Clc1ccc(cc1)-c1nc2sccn2c1\C=N\OCc1ccc(Cl)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: