BDBM50250374 CHEMBL4061773

SMILES: CC(C)(C)C[C@@H]1NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O

InChI Key: InChIKey=PSRISGPGJYHMPY-HSVGTTOUSA-N

Data: 2 KI

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 = 50250374   

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))	BDBM50250374 (CHEMBL4061773) Show SMILES CC(C)(C)C[C@@H]1NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O |r| Show InChI InChI=1S/C45H59F2N7O6S/c1-44(2,3)23-35-40(57)50-33(20-28-12-8-7-9-13-28)39(56)52-36(24-45(4,5)6)41(58)51-34(22-31-26-61-27-48-31)42(59)54-19-11-15-37(54)43(60)53(25-38(55)49-35)18-10-14-29-16-17-30(46)21-32(29)47/h7-9,12-13,16-17,21,26-27,33-37H,10-11,14-15,18-20,22-25H2,1-6H3,(H,49,55)(H,50,57)(H,51,58)(H,52,56)/t33-,34+,35+,36+,37-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...				J Med Chem 60: 9653-9663 (2017) Article DOI: 10.1021/acs.jmedchem.7b01028 BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50250374 (CHEMBL4061773) Show SMILES CC(C)(C)C[C@@H]1NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O |r| Show InChI InChI=1S/C45H59F2N7O6S/c1-44(2,3)23-35-40(57)50-33(20-28-12-8-7-9-13-28)39(56)52-36(24-45(4,5)6)41(58)51-34(22-31-26-61-27-48-31)42(59)54-19-11-15-37(54)43(60)53(25-38(55)49-35)18-10-14-29-16-17-30(46)21-32(29)47/h7-9,12-13,16-17,21,26-27,33-37H,10-11,14-15,18-20,22-25H2,1-6H3,(H,49,55)(H,50,57)(H,51,58)(H,52,56)/t33-,34+,35+,36+,37-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 60: 9653-9663 (2017) Article DOI: 10.1021/acs.jmedchem.7b01028 BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
					More data for this Ligand-Target Pair