Reaction Details Report a problem with these data
Target
C-X-C chemokine receptor type 4
Ligand
BDBM194584
Substrate
n/a
Meas. Tech.
Competitive Binding Assay
IC50
<1±n/a nM
Citation
 Natchus, MG; Arrendale, R; Liotta, D Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction US Patent  US9205085 Publication Date 12/8/2015 
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/SDF-1) | CXCR4_RAT | Cmkar4 | Cxcr4
Type:
Enzyme
Mol. Mass.:
39342.13
Organism:
Rattus norvegicus (Rat)
Description:
O08565
Residue:
349
Sequence:
MEIYTSDNYSEEVGSGDYDSNKEPCFRDENENFNRIFLPTIYFIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAMADWYFGKFLCKAVHIIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKAVYVGVWIPALLLTIPDIIFADVSQGDGRYICDRLYPDSLWMVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYVGISIDSFILLEVIKQGCEFESVVHKWISITEALAFFHCCLNPILYAFLGAKFKSSAQHALNSMSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
  
Inhibitor
Name:
BDBM194584
Synonyms:
US9205085, MSX-207
Type:
Small organic molecule
Emp. Form.:
C90H141N33O18S2
Mol. Mass.:
2037.423
SMILES:
NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N
Structure:
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