Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 7
Ligand
BDBM50088301
Substrate
n/a
Meas. Tech.
ChEMBL_1843869 (CHEMBL4344296)
IC50
1.4±n/a nM
Citation
 Romero, FA; Jones, CT; Xu, Y; Fenaux, M; Halcomb, RL The Race to Bash NASH: Emerging Targets and Drug Development in a Complex Liver Disease. J Med Chem 63:5031-5073 (2020) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 7
Synonyms:
CCR7 | CCR7_HUMAN | CMKBR7 | EBI1 | EVI1
Type:
PROTEIN
Mol. Mass.:
42885.12
Organism:
Homo sapiens (Human)
Description:
ChEMBL_338819
Residue:
378
Sequence:
MDLGKPMKSVLVVALLVIFQVCLCQDEVTDDYIGDNTTVDYTLFESLCSKKDVRNFKAWFLPIMYSIICFVGLLGNGLVVLTYIYFKRLKTMTDTYLLNLAVADILFLLTLPFWAYSAAKSWVFGVHFCKLIFAIYKMSFFSGMLLLLCISIDRYVAIVQAVSAHRHRARVLLISKLSCVGIWILATVLSIPELLYSDLQRSSSEQAMRCSLITEHVEAFITIQVAQMVIGFLVPLLAMSFCYLVIIRTLLQARNFERNKAIKVIIAVVVVFIVFQLPYNGVVLAQTVANFNITSSTCELSKQLNIAYDVTYSLACVRCCVNPFLYAFIGVKFRNDLFKLFKDLGCLSQEQLRQWSSCRHIRRSSMSVEAETTTTFSP
  
Inhibitor
Name:
BDBM50088301
Synonyms:
(E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride | (TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride | CHEMBL41275 | CHEMBL64322 | Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride | Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779) | N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride | TAK-779
Type:
Small organic molecule
Emp. Form.:
C33H39N2O2
Mol. Mass.:
495.6744
SMILES:
Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Structure:
Search PDB for entries with ligand similarity: