Reaction Details Report a problem with these data
Target
Tumor necrosis factor receptor superfamily member 1A
Ligand
BDBM50123286
Substrate
n/a
Meas. Tech.
ChEBML_212214
IC50
790.0±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:
BDBM50123286
Synonyms:
5-(1H-Indol-3-ylmethylene)-2-thioxo-1,3-di-o-tolyl-dihydro-pyrimidine-4,6-dione | CHEMBL347715
Type:
Small organic molecule
Emp. Form.:
C27H21N3O2S
Mol. Mass.:
451.54
SMILES:
Cc1ccccc1N1C(=S)N(C(=O)C(=Cc2c[nH]c3ccccc23)C1=O)c1ccccc1C |(14.85,3.89,;13.35,3.48,;12.26,4.59,;10.76,4.17,;10.36,2.66,;11.46,1.56,;12.96,1.98,;14.05,.88,;13.72,-.63,;12.26,-1.1,;14.86,-1.66,;16.34,-1.2,;17.48,-2.22,;16.64,.3,;18.11,.79,;19.26,-.26,;19.09,-1.78,;20.49,-2.41,;21.52,-1.27,;23.06,-1.27,;23.83,.06,;23.06,1.39,;21.52,1.39,;20.77,.07,;15.52,1.35,;15.84,2.85,;14.45,-3.15,;12.96,-3.52,;12.55,-5,;13.63,-6.1,;15.12,-5.7,;15.52,-4.23,;17.02,-3.83,)|
Structure:
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