BDBM459057 US10759796, Compound I-17

SMILES: CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Br)n12

InChI Key: InChIKey=LMVIJYOAOWYUQW-RBUKOAKNSA-N

Data: 1 IC50

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 = 459057   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
C-X-C chemokine receptor type 4 (Bovine)	BDBM459057 (US10759796, Compound I-17) Show SMILES CN1CCN(CC1)c1cccc2nc([C@H]3CCC[C@H](N3C)c3ncccc3C)c(Br)n12 |r| Show InChI InChI=1S/C24H31BrN6/c1-17-7-6-12-26-22(17)18-8-4-9-19(29(18)3)23-24(25)31-20(27-23)10-5-11-21(31)30-15-13-28(2)14-16-30/h5-7,10-12,18-19H,4,8-9,13-16H2,1-3H3/t18-,19+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/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)
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