BDBM50092213 CHEMBL3581269

SMILES: C[C@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O

InChI Key: InChIKey=SSWRRPCXMMBROH-NWMSTRDFSA-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 = 50092213   

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))	BDBM50092213 (CHEMBL3581269) Show SMILES C[C@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |r| Show InChI InChI=1S/C38H51N11O6/c1-22-32(51)47-30(20-23-12-15-27(50)16-13-23)35(54)46-28(9-5-17-43-37(39)40)33(52)45-29(10-6-18-44-38(41)42)34(53)48-31(36(55)49(22)2)21-24-11-14-25-7-3-4-8-26(25)19-24/h3-4,7-8,11-16,19,22,28-31,50H,5-6,9-10,17-18,20-21H2,1-2H3,(H,45,52)(H,46,54)(H,47,51)(H,48,53)(H4,39,40,43)(H4,41,42,44)/t22-,28+,29+,30-,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement as...				J Med Chem 58: 5218-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00216 BindingDB Entry DOI: 10.7270/Q29P33CM
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7) (Homo sapiens (Human))	BDBM50092213 (CHEMBL3581269) Show SMILES C[C@H]1N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |r| Show InChI InChI=1S/C38H51N11O6/c1-22-32(51)47-30(20-23-12-15-27(50)16-13-23)35(54)46-28(9-5-17-43-37(39)40)33(52)45-29(10-6-18-44-38(41)42)34(53)48-31(36(55)49(22)2)21-24-11-14-25-7-3-4-8-26(25)19-24/h3-4,7-8,11-16,19,22,28-31,50H,5-6,9-10,17-18,20-21H2,1-2H3,(H,45,52)(H,46,54)(H,47,51)(H,48,53)(H4,39,40,43)(H4,41,42,44)/t22-,28+,29+,30-,31+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Inhibition of [125I]SDF-1alpha binding to CXCR7 (unknown origin) expressed in CHO cell membranes incubated for 1 hr by radioligand displacement assay				J Med Chem 58: 5218-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00216 BindingDB Entry DOI: 10.7270/Q29P33CM
					More data for this Ligand-Target Pair