Reaction Details Report a problem with these data
Target
Chondroitin sulfate N-acetylgalactosaminyltransferase 1
Ligand
BDBM50386149
Substrate
n/a
Meas. Tech.
ChEMBL_824644 (CHEMBL2045702)
IC50
35000±n/a nM
Citation
 Jadhav, RD; Kadam, KS; Kandre, S; Guha, T; Reddy, MM; Brahma, MK; Deshmukh, NJ; Dixit, A; Doshi, L; Potdar, N; Enose, AA; Vishwakarma, RA; Sivaramakrishnan, H; Srinivasan, S; Nemmani, KV; Gupte, A; Gangopadhyay, AK; Sharma, R Synthesis and biological evaluation of isoxazole, oxazole, and oxadiazole containing heteroaryl analogs of biaryl ureas as DGAT1 inhibitors. Eur J Med Chem 54:324-42 (2012) [PubMed]  Article 
Target
Name:
Chondroitin sulfate N-acetylgalactosaminyltransferase 1
Synonyms:
Beta4GalNAcT-1 | CGAT1_HUMAN | CHGN | CSGALNACT1 | Chondroitin beta-1,4-N-acetylgalactosaminyltransferase 1 | CsGalNAcT-1 | GALNACT1
Type:
PROTEIN
Mol. Mass.:
61307.78
Organism:
Homo sapiens (Human)
Description:
ChEMBL_824644
Residue:
532
Sequence:
MMMVRRGLLAWISRVVVLLVLLCCAISVLYMLACTPKGDEEQLALPRANSPTGKEGYQAVLQEWEEQHRNYVSSLKRQIAQLKEELQERSEQLRNGQYQASDAAGLGLDRSPPEKTQADLLAFLHSQVDKAEVNAGVKLATEYAAVPFDSFTLQKVYQLETGLTRHPEEKPVRKDKRDELVEAIESALETLNSPAENSPNHRPYTASDFIEGIYRTERDKGTLYELTFKGDHKHEFKRLILFRPFGPIMKVKNEKLNMANTLINVIVPLAKRVDKFRQFMQNFREMCIEQDGRVHLTVVYFGKEEINEVKGILENTSKAANFRNFTFIQLNGEFSRGKGLDVGARFWKGSNVLLFFCDVDIYFTSEFLNTCRLNTQPGKKVFYPVLFSQYNPGIIYGHHDAVPPLEQQLVIKKETGFWRDFGFGMTCQYRSDFINIGGFDLDIKGWGGEDVHLYRKYLHSNLIVVRTPVRGLFHLWHEKRCMDELTPEQYKMCMQSKAMNEASHGQLGMLVFRHEIEAHLRKQKQKTSSKKT
  
Inhibitor
Name:
BDBM50386149
Synonyms:
CHEMBL2042351
Type:
Small organic molecule
Emp. Form.:
C25H22FN3O3S
Mol. Mass.:
463.524
SMILES:
CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(F)cc3s2)cc1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: