BDBM50264002 CHEMBL4072634

SMILES: CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O

InChI Key: InChIKey=DDVNDJJKZAGRAO-VNACGOBZSA-N

Data: 2 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 2 hits for monomerid = 50264002   

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 7 (CXCR7) (Homo sapiens (Human))	BDBM50264002 (CHEMBL4072634) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C45H56N10O8/c1-54-37(10-6-22-50-45(48)63)40(59)53-36(25-29-11-16-30-7-3-4-8-31(30)23-29)43(62)55(2)38(26-28-14-19-33(57)20-15-28)41(60)52-35(24-27-12-17-32(56)18-13-27)39(58)51-34(42(54)61)9-5-21-49-44(46)47/h3-4,7-8,11-20,23,34-38,56-57H,5-6,9-10,21-22,24-26H2,1-2H3,(H,51,58)(H,52,60)(H,53,59)(H4,46,47,49)(H3,48,50,63)/t34-,35+,36-,37-,38-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50264002 (CHEMBL4072634) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C45H56N10O8/c1-54-37(10-6-22-50-45(48)63)40(59)53-36(25-29-11-16-30-7-3-4-8-31(30)23-29)43(62)55(2)38(26-28-14-19-33(57)20-15-28)41(60)52-35(24-27-12-17-32(56)18-13-27)39(58)51-34(42(54)61)9-5-21-49-44(46)47/h3-4,7-8,11-20,23,34-38,56-57H,5-6,9-10,21-22,24-26H2,1-2H3,(H,51,58)(H,52,60)(H,53,59)(H4,46,47,49)(H3,48,50,63)/t34-,35+,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair