Ki Summary

Reaction Details

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Target

C-X-C chemokine receptor type 4

Ligand

BDBM50244271

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_492183 (CHEMBL951559)

IC50

3000±n/a nM

Citation

Ueda, S; Kato, M; Inuki, S; Ohno, H; Evans, B; Wang, ZX; Peiper, SC; Izumi, K; Kodama, E; Matsuoka, M; Nagasawa, H; Oishi, S; Fujii, N Identification of novel non-peptide CXCR4 antagonists by ligand-based design approach. Bioorg Med Chem Lett18:4124-9 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

C-X-C chemokine receptor type 4

Name:

C-X-C chemokine receptor type 4

Synonyms:

Type:

Enzyme

Mol. Mass.:

39754.61

Organism:

Homo sapiens (Human)

Description:

P61073

Residue:

352

Sequence:

MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVI
LVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNL
YSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEA
DDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKT
TVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPI
LYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS

BDBM50244271

n/a

Name

BDBM50244271

Synonyms:

5-(2-Guanidino-acetylamino)-1-(3-guanidino-propyl)-1H-indole-2-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-amide | CHEMBL472323

Type

Small organic molecule

Emp. Form.

C26H32N10O2

Mol. Mass.

516.5981

SMILES

NC(N)=NCCCn1c(cc2cc(NC(=O)CN=C(N)N)ccc12)C(=O)NCCc1c[nH]c2ccccc12 |(26.4,-21.74,;27.43,-20.6,;28.94,-20.92,;26.95,-19.13,;27.98,-17.99,;27.51,-16.52,;28.54,-15.38,;28.06,-13.92,;28.97,-12.66,;28.06,-11.41,;26.59,-11.89,;25.25,-11.12,;23.92,-11.89,;22.59,-11.12,;21.25,-11.89,;21.25,-13.43,;19.92,-11.12,;18.59,-11.89,;17.25,-11.12,;15.92,-11.89,;17.25,-9.58,;23.92,-13.44,;25.25,-14.21,;26.59,-13.44,;30.51,-12.66,;31.28,-13.99,;31.28,-11.33,;32.82,-11.33,;33.59,-9.99,;35.13,-9.99,;36.04,-8.74,;37.51,-9.22,;37.51,-10.76,;38.64,-11.78,;38.33,-13.27,;36.86,-13.75,;35.73,-12.72,;36.05,-11.23,)|

Structure