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Target
C-X-C chemokine receptor type 4
Ligand
BDBM50315293
Substrate
n/a
Meas. Tech.
ChEMBL_626229 (CHEMBL1107996)
IC50
973±n/a nM
Citation
 Skerlj, RT; Bridger, GJ; Kaller, A; McEachern, EJ; Crawford, JB; Zhou, Y; Atsma, B; Langille, J; Nan, S; Veale, D; Wilson, T; Harwig, C; Hatse, S; Princen, K; De Clercq, E; Schols, D Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. J Med Chem 53:3376-88 (2010) [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:
BDBM50315293
Synonyms:
CHEMBL1089846 | N1-(1H-Benzo[d]imidazol-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)but-2-yne-1,4-diamine
Type:
Small organic molecule
Emp. Form.:
C21H23N5
Mol. Mass.:
345.4408
SMILES:
NCC#CCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Structure:
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