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SMILES: CCN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCN(CC1)C(C)C

InChI Key: InChIKey=BLJXFXBXWZXOJZ-RPWUZVMVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 459068   
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)		BDBM459068
PNG
(US10759796, Compound I-37)
Show SMILES CCN1[C@H](CCC[C@H]1c1ncccc1C)c1cn2c(cccc2n1)N1CCN(CC1)C(C)C |r|
Show InChI InChI=1S/C27H38N6/c1-5-32-23(10-6-11-24(32)27-21(4)9-8-14-28-27)22-19-33-25(29-22)12-7-13-26(33)31-17-15-30(16-18-31)20(2)3/h7-9,12-14,19-20,23-24H,5-6,10-11,15-18H2,1-4H3/t23-,24+/m1/s1
PDB

UniProtKB/SwissProt

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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