Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM50264279
Substrate
n/a
Meas. Tech.
ChEMBL_1698435 (CHEMBL4049325)
Ki
>6200±n/a nM
Citation
 Menhaji-Klotz, E; Hesp, KD; Londregan, AT; Kalgutkar, AS; Piotrowski, DW; Boehm, M; Song, K; Ryder, T; Beaumont, K; Jones, RM; Atkinson, K; Brown, JA; Litchfield, J; Xiao, J; Canterbury, DP; Burford, K; Thuma, BA; Limberakis, C; Jiao, W; Bagley, SW; Agarwal, S; Crowell, D; Pazdziorko, S; Ward, J; Price, DA; Clerin, V Discovery of a Novel Small-Molecule Modulator of C-X-C Chemokine Receptor Type 7 as a Treatment for Cardiac Fibrosis. J Med Chem 61:3685-3696 (2018) [PubMed]  Article 
Target
Name:
C-X-C chemokine receptor type 4
Synonyms:
C-X-C chemokine receptor type 4 | C-X-C chemokine receptor type 4 (CXCR4) | CD_antigen=CD184 | CXC-R4 | CXCR-4 | CXCR4 | CXCR4_HUMAN | FB22 | Fusin | HM89 | LCR1 | LESTR | Leukocyte-derived seven transmembrane domain receptor | NPYRL | SDF-1 receptor | Stromal cell-derived factor 1 receptor
Type:
Enzyme
Mol. Mass.:
39754.61
Organism:
Homo sapiens (Human)
Description:
P61073
Residue:
352
Sequence:
MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
  
Inhibitor
Name:
BDBM50264279
Synonyms:
CHEMBL4072602
Type:
Small organic molecule
Emp. Form.:
C27H39N5O2
Mol. Mass.:
465.6309
SMILES:
[H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Structure:
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