Reaction Details Report a problem with these data
Target
Tumor necrosis factor receptor superfamily member 1A
Ligand
BDBM50255012
Substrate
n/a
Meas. Tech.
ChEMBL_558470 (CHEMBL963876)
IC50
2000±n/a nM
Citation
 Tecle, H; Shao, J; Li, Y; Kothe, M; Kazmirski, S; Penzotti, J; Ding, YH; Ohren, J; Moshinsky, D; Coli, R; Jhawar, N; Bora, E; Jacques-O'Hagan, S; Wu, J Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK? Bioorg Med Chem Lett 19:226-9 (2008) [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:
BDBM50255012
Synonyms:
5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)benzoic acid | CHEMBL465465
Type:
Small organic molecule
Emp. Form.:
C22H18F3IN2O4S
Mol. Mass.:
590.354
SMILES:
CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Structure:
Search PDB for entries with ligand similarity: