BDBM50250708 CHEMBL4079246

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](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O

InChI Key: InChIKey=DPMQYUBAMOHWJF-QFNGMZDJSA-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 = 50250708   

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))	BDBM50250708 (CHEMBL4079246) 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](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C43H63N13O10S2/c1-23(50-35(60)28(51-24(2)57)12-8-18-48-41(44)45)34(59)55-32-22-67-68-43(3,4)33(40(65)66)56-38(63)31(21-26-14-16-27(58)17-15-26)54-37(62)30(20-25-10-6-5-7-11-25)53-36(61)29(52-39(32)64)13-9-19-49-42(46)47/h5-7,10-11,14-17,23,28-33,58H,8-9,12-13,18-22H2,1-4H3,(H,50,60)(H,51,57)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,63)(H,65,66)(H4,44,45,48)(H4,46,47,49)/t23-,28-,29-,30-,31-,32+,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	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