Reaction Details Report a problem with these data
Target
Tumor necrosis factor receptor superfamily member 1A
Ligand
BDBM50123284
Substrate
n/a
Meas. Tech.
ChEBML_212214
IC50
400±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:
BDBM50123284
Synonyms:
5-(5-Benzyloxy-1H-indol-3-ylmethylene)-1,3-diethyl-2-thioxo-dihydro-pyrimidine-4,6-dione | CHEMBL150992
Type:
Small organic molecule
Emp. Form.:
C24H23N3O3S
Mol. Mass.:
433.523
SMILES:
CCN1C(=S)N(CC)C(=O)C(=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C1=O |(19.82,-5.92,;18.51,-5.1,;18.58,-3.56,;17.22,-2.82,;15.89,-3.61,;17.2,-1.27,;15.86,-.45,;14.51,-1.2,;18.51,-.48,;18.48,1.07,;19.86,-1.22,;21.18,-.43,;22.54,-1.17,;22.73,-2.7,;24.24,-2.98,;24.97,-1.62,;26.47,-1.27,;26.93,.2,;25.86,1.33,;26.3,2.8,;27.8,3.17,;28.24,4.65,;27.19,5.77,;27.61,7.24,;29.14,7.59,;30.19,6.48,;29.74,5,;24.36,.97,;23.92,-.5,;19.89,-2.76,;21.25,-3.51,)|
Structure:
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