BDBM50100604 CHEMBL3327371

SMILES: NC(=N)NCCC[C@H]1NC(=O)CCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O

InChI Key: InChIKey=QDOWGHMQGZINPC-VJBWXMMDSA-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 = 50100604   

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))	BDBM50100604 (CHEMBL3327371) Show SMILES NC(=N)NCCC[C@H]1NC(=O)CCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C29H42N10O4/c30-28(31)35-14-3-8-21-26(42)38-22(9-4-15-36-29(32)33)27(43)39-23(25(41)34-13-5-10-24(40)37-21)17-18-11-12-19-6-1-2-7-20(19)16-18/h1-2,6-7,11-12,16,21-23H,3-5,8-10,13-15,17H2,(H,34,41)(H,37,40)(H,38,42)(H,39,43)(H4,30,31,35)(H4,32,33,36)/t21-,22+,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation...				Bioorg Med Chem 22: 4759-69 (2014) Article DOI: 10.1016/j.bmc.2014.07.004 BindingDB Entry DOI: 10.7270/Q2XG9SVZ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50100604 (CHEMBL3327371) Show SMILES NC(=N)NCCC[C@H]1NC(=O)CCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C29H42N10O4/c30-28(31)35-14-3-8-21-26(42)38-22(9-4-15-36-29(32)33)27(43)39-23(25(41)34-13-5-10-24(40)37-21)17-18-11-12-19-6-1-2-7-20(19)16-18/h1-2,6-7,11-12,16,21-23H,3-5,8-10,13-15,17H2,(H,34,41)(H,37,40)(H,38,42)(H,39,43)(H4,30,31,35)(H4,32,33,36)/t21-,22+,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation...				Bioorg Med Chem 22: 4759-69 (2014) Article DOI: 10.1016/j.bmc.2014.07.004 BindingDB Entry DOI: 10.7270/Q2XG9SVZ
					More data for this Ligand-Target Pair