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Target
C-X-C chemokine receptor type 4
Ligand
BDBM50190512
Substrate
n/a
Meas. Tech.
ChEMBL_373788 (CHEMBL869752)
IC50
>10000±n/a nM
Citation
 Habashita, H; Kokubo, M; Hamano, S; Hamanaka, N; Toda, M; Shibayama, S; Tada, H; Sagawa, K; Fukushima, D; Maeda, K; Mitsuya, H Design, synthesis, and biological evaluation of the combinatorial library with a new spirodiketopiperazine scaffold. Discovery of novel potent and selective low-molecular-weight CCR5 antagonists. J Med Chem 49:4140-52 (2006) [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:
BDBM50190512
Synonyms:
(3R)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride | CHEMBL535616
Type:
Small organic molecule
Emp. Form.:
C27H43N3O2
Mol. Mass.:
441.6492
SMILES:
CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1
Structure:
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