BDBM50263984 CHEMBL4067542

SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC2=O

InChI Key: InChIKey=PEINCWDADMYOAX-NCCXDUJKSA-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 = 50263984   

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))	BDBM50263984 (CHEMBL4067542) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC2=O |r| Show InChI InChI=1S/C44H54N10O6/c1-53-36(14-7-21-49-44(47)60)39(56)52-35(26-28-17-19-30-10-3-5-12-32(30)24-28)42(59)54-22-8-15-37(54)40(57)51-34(25-27-16-18-29-9-2-4-11-31(29)23-27)38(55)50-33(41(53)58)13-6-20-48-43(45)46/h2-5,9-12,16-19,23-24,33-37H,6-8,13-15,20-22,25-26H2,1H3,(H,50,55)(H,51,57)(H,52,56)(H4,45,46,48)(H3,47,49,60)/t33-,34+,35-,36-,37-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	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))	BDBM50263984 (CHEMBL4067542) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC2=O |r| Show InChI InChI=1S/C44H54N10O6/c1-53-36(14-7-21-49-44(47)60)39(56)52-35(26-28-17-19-30-10-3-5-12-32(30)24-28)42(59)54-22-8-15-37(54)40(57)51-34(25-27-16-18-29-9-2-4-11-31(29)23-27)38(55)50-33(41(53)58)13-6-20-48-43(45)46/h2-5,9-12,16-19,23-24,33-37H,6-8,13-15,20-22,25-26H2,1H3,(H,50,55)(H,51,57)(H,52,56)(H4,45,46,48)(H3,47,49,60)/t33-,34+,35-,36-,37-/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