Reaction Details Report a problem with these data
Target
Atypical chemokine receptor 3
Ligand
BDBM50092259
Substrate
n/a
Meas. Tech.
ChEMBL_1499908 (CHEMBL3583502)
IC50
>30000±n/a nM
Citation
 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Development of novel CXC chemokine receptor 7 (CXCR7) ligands: selectivity switch from CXCR4 antagonists with a cyclic pentapeptide scaffold. J Med Chem 58:5218-25 (2015) [PubMed]  Article 
Target
Name:
Atypical chemokine receptor 3
Synonyms:
ACKR3 | ACKR3_HUMAN | C-X-C chemokine receptor type 7 | C-X-C chemokine receptor type 7 (CXCR7) | CMKOR1 | CXC-R7 | CXCR-7 | CXCR7 | Chemokine orphan receptor 1 | G-protein coupled receptor 159 | G-protein coupled receptor RDC1 homolog | GPR159 | RDC-1 | RDC1
Type:
Enzyme
Mol. Mass.:
41498.84
Organism:
Homo sapiens (Human)
Description:
P25106
Residue:
362
Sequence:
MDLHLFDYSEPGNFSDISWPCNSSDCIVVDTVMCPNMPNKSVLLYTLSFIYIFIFVIGMIANSVVVWVNIQAKTTGYDTHCYILNLAIADLWVVLTIPVWVVSLVQHNQWPMGELTCKVTHLIFSINLFGSIFFLTCMSVDRYLSITYFTNTPSSRKKMVRRVVCILVWLLAFCVSLPDTYYLKTVTSASNNETYCRSFYPEHSIKEWLIGMELVSVVLGFAVPFSIIAVFYFLLARAISASSDQEKHSSRKIIFSYVVVFLVCWLPYHVAVLLDIFSILHYIPFTCRLEHALFTALHVTQCLSLVHCCVNPVLYSFINRNYRYELMKAFIFKYSAKTGLTKLIDASRVSETEYSALEQSTK
  
Inhibitor
Name:
BDBM50092259
Synonyms:
CHEMBL3581285
Type:
Small organic molecule
Emp. Form.:
C30H47N11O6
Mol. Mass.:
657.7643
SMILES:
[H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r|
Structure:
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