BDBM50250709 CHEMBL4076358

SMILES: C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O

InChI Key: InChIKey=YDVQMUVDNHBIMG-XPOKGGDFSA-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 = 50250709   

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 (Homo sapiens (Human))	BDBM50250709 (CHEMBL4076358) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C40H61N15O9S2/c1-21(49-32(58)25(50-22(2)56)12-8-14-46-38(41)42)31(57)54-29-19-65-66-40(3,4)30(37(63)64)55-35(61)28(17-24-18-45-20-48-24)53-34(60)27(16-23-10-6-5-7-11-23)52-33(59)26(51-36(29)62)13-9-15-47-39(43)44/h5-7,10-11,18,20-21,25-30H,8-9,12-17,19H2,1-4H3,(H,45,48)(H,49,58)(H,50,56)(H,51,62)(H,52,59)(H,53,60)(H,54,57)(H,55,61)(H,63,64)(H4,41,42,46)(H4,43,44,47)/t21-,25-,26-,27-,28-,29+,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair