BindingDB logo
myBDB logout

null

SMILES: CN1CC2CCC(C1)N2c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C

InChI Key: InChIKey=HLXFSJKERSTREK-PHFCHIBXSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 459094   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
C-X-C chemokine receptor type 4


(Bovine)		BDBM459094
PNG
(US10759796, Compound I-69)
Show SMILES CN1CC2CCC(C1)N2c1cccc2nc(cn12)[C@H]1CCC[C@H](N1C)c1ncccc1C |r|
Show InChI InChI=1S/C26H34N6/c1-18-7-6-14-27-26(18)23-9-4-8-22(30(23)3)21-17-31-24(28-21)10-5-11-25(31)32-19-12-13-20(32)16-29(2)15-19/h5-7,10-11,14,17,19-20,22-23H,4,8-9,12-13,15-16H2,1-3H3/t19?,20?,22-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/a



X4 PHARMACEUTICALS, INC.

US Patent


Assay Description
Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks' balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum alb...

US Patent US10759796 (2020)

More data for this
Ligand-Target Pair