Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 1
Ligand
BDBM50315305
Substrate
n/a
Meas. Tech.
ChEMBL_626225 (CHEMBL1107992)
IC50
>10000±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
More Info.:
Target
Name:
C-X-C chemokine receptor type 1
Synonyms:
C-X-C chemokine receptor type 1 (CXCR-1) | C-X-C chemokine receptor type 1 (CXCR1) | CMKAR1 | CXCR1 | CXCR1_HUMAN | IL8RA | Interleukin-8 receptor A | Interleukin-8 receptors, CXCR1/CXCR2
Type:
Enzyme
Mol. Mass.:
39803.83
Organism:
Homo sapiens (Human)
Description:
P25024
Residue:
350
Sequence:
MSNITDPQMWDFDDLNFTGMPPADEDYSPCMLETETLNKYVVIIAYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALADLLFALTLPIWAASKVNGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATRTLTQKRHLVKFVCLGCWGLSMNLSLPFFLFRQAYHPNNSSPVCYEVLGNDTAKWRMVLRILPHTFGFIVPLFVMLFCYGFTLRTLFKAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLADTLMRTQVIQESCERRNNIGRALDATEILGFLHSCLNPIIYAFIGQNFRHGFLKILAMHGLVSKEFLARHRVTSYTSSSVNVSSNL
Inhibitor
Name:
BDBM50315305
Synonyms:
(S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-aminobutyl)-5,6,7,8-tetrahydroquinolin-8-amine | (S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine | CHEMBL518924
Type:
Small organic molecule
Emp. Form.:
C21H27N5
Mol. Mass.:
349.4726
SMILES:
NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r|