Reaction Details Report a problem with these data
Target
Tumor necrosis factor receptor superfamily member 1A
Ligand
BDBM50123307
Substrate
n/a
Meas. Tech.
ChEBML_212214
IC50
600±n/a nM
Citation
 Voss, ME; Carter, PH; Tebben, AJ; Scherle, PA; Brown, GD; Thompson, LA; Xu, M; Lo, YC; Yang, G; Liu, RQ; Strzemienski, P; Everlof, JG; Trzaskos, JM; Decicco, CP Both 5-arylidene-2-thioxodihydropyrimidine-4,6(1H,5H)-diones and 3-thioxo-2,3-dihydro-1H-imidazo[1,5-a]indol-1-ones are light-dependent tumor necrosis factor-alpha antagonists. Bioorg Med Chem Lett 13:533-8 (2003) [PubMed]  Article 
Target
Name:
Tumor necrosis factor receptor superfamily member 1A
Synonyms:
CD_antigen=CD120a | TBPI | TNF-R1 | TNF-RI | TNFAR | TNFR-I | TNFR1 | TNFRSF1A | TNR1A_HUMAN | Tumor necrosis factor receptor R1 | Tumor necrosis factor receptor superfamily member 1A | Tumor necrosis factor receptor superfamily member 1A, membrane form | Tumor necrosis factor-binding protein 1 | p55 | p60
Type:
PROTEIN
Mol. Mass.:
50495.39
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1509419
Residue:
455
Sequence:
MGLSTVPDLLLPLVLLELLVGIYPSGVIGLVPHLGDREKRDSVCPQGKYIHPQNNSICCTKCHKGTYLYNDCPGPGQDTDCRECESGSFTASENHLRHCLSCSKCRKEMGQVEISSCTVDRDTVCGCRKNQYRHYWSENLFQCFNCSLCLNGTVHLSCQEKQNTVCTCHAGFFLRENECVSCSNCKKSLECTKLCLPQIENVKGTEDSGTTVLLPLVIFFGLCLLSLLFIGLMYRYQRWKSKLYSIVCGKSTPEKEGELEGTTTKPLAPNPSFSPTPGFTPTLGFSPVPSSTFTSSSTYTPGDCPNFAAPRREVAPPYQGADPILATALASDPIPNPLQKWEDSAHKPQSLDTDDPATLYAVVENVPPLRWKEFVRRLGLSDHEIDRLELQNGRCLREAQYSMLATWRRRTPRREATLELLGRVLRDMDLLGCLEDIEEALCGPAALPPAPSLLR
  
Inhibitor
Name:
BDBM50123307
Synonyms:
1,3-Diethyl-5-(7-methyl-1H-indol-3-ylmethylene)-2-thioxo-dihydro-pyrimidine-4,6-dione | CHEMBL359348
Type:
Small organic molecule
Emp. Form.:
C18H19N3O2S
Mol. Mass.:
341.427
SMILES:
CCN1C(=S)N(CC)C(=O)C(=Cc2c[nH]c3c(C)cccc23)C1=O |(19.91,-1.06,;18.6,-.24,;18.66,1.28,;17.31,2.03,;15.99,1.24,;17.29,3.57,;15.96,4.39,;14.6,3.66,;18.59,4.37,;18.57,5.93,;19.95,3.62,;21.27,4.42,;22.62,3.68,;22.81,2.15,;24.32,1.86,;25.05,3.22,;26.55,3.57,;27.61,2.44,;27,5.04,;25.94,6.17,;24.44,5.81,;24,4.34,;19.98,2.09,;21.34,1.35,)|
Structure:
Search PDB for entries with ligand similarity: