BDBM50244994 CHEMBL4092239

SMILES: C[C@H](NC(=O)c1cccc(NC(N)=N)c1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O

InChI Key: InChIKey=PAZIDKQLNAGNBP-HUZZHFCNSA-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 = 50244994   

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))	BDBM50244994 (CHEMBL4092239) Show SMILES C[C@H](NC(=O)c1cccc(NC(N)=N)c1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C41H52N12O8S2/c1-23(47-34(55)26-14-8-15-27(20-26)48-41(44)45)33(54)52-31-21-62-63-22-32(39(60)61)53-37(58)30(19-25-12-6-3-7-13-25)51-36(57)29(18-24-10-4-2-5-11-24)50-35(56)28(49-38(31)59)16-9-17-46-40(42)43/h2-8,10-15,20,23,28-32H,9,16-19,21-22H2,1H3,(H,47,55)(H,49,59)(H,50,56)(H,51,57)(H,52,54)(H,53,58)(H,60,61)(H4,42,43,46)(H4,44,45,48)/t23-,28-,29-,30-,31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of PE-conjugated 12G5 antibody binding				J Med Chem 61: 2910-2923 (2018) Article DOI: 10.1021/acs.jmedchem.7b01830 BindingDB Entry DOI: 10.7270/Q2G44SPB
					More data for this Ligand-Target Pair