BDBM50398999 CHEMBL2180079

SMILES: [#6]C1([#6])[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]1=O

InChI Key: InChIKey=XCHJVQITCMEXNC-GMQQYTKMSA-N

Data: 2 EC50

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 2 hits for monomerid = 50398999   

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 (CXCR4) (Homo sapiens (Human))	BDBM50398999 (CHEMBL2180079) Show SMILES [#6]C1([#6])[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]1=O |r| Show InChI InChI=1S/C34H42N8O6/c1-34(2)32(48)41-25(8-5-15-37-33(35)36)30(46)40-26(18-21-9-12-22-6-3-4-7-23(22)16-21)29(45)38-19-28(44)39-27(31(47)42-34)17-20-10-13-24(43)14-11-20/h3-4,6-7,9-14,16,25-27,43H,5,8,15,17-19H2,1-2H3,(H,38,45)(H,39,44)(H,40,46)(H,41,48)(H,42,47)(H4,35,36,37)/t25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a
University of Troms£ Curated by ChEMBL					Assay Description Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation...				J Med Chem 55: 10287-91 (2012) Article DOI: 10.1021/jm300926y BindingDB Entry DOI: 10.7270/Q23779T3
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50398999 (CHEMBL2180079) Show SMILES [#6]C1([#6])[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]1=O |r| Show InChI InChI=1S/C34H42N8O6/c1-34(2)32(48)41-25(8-5-15-37-33(35)36)30(46)40-26(18-21-9-12-22-6-3-4-7-23(22)16-21)29(45)38-19-28(44)39-27(31(47)42-34)17-20-10-13-24(43)14-11-20/h3-4,6-7,9-14,16,25-27,43H,5,8,15,17-19H2,1-2H3,(H,38,45)(H,39,44)(H,40,46)(H,41,48)(H,42,47)(H4,35,36,37)/t25-,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a
University of Troms£ Curated by ChEMBL					Assay Description Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation...				J Med Chem 55: 10287-91 (2012) Article DOI: 10.1021/jm300926y BindingDB Entry DOI: 10.7270/Q23779T3
					More data for this Ligand-Target Pair