BDBM50250388 CHEMBL4099374

SMILES: NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O

InChI Key: InChIKey=ODJRYAQCYNUYND-KCNPKYBPSA-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 = 50250388   

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))	BDBM50250388 (CHEMBL4099374) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O |r| Show InChI InChI=1S/C53H61N11O6/c54-53(55)56-25-11-23-42-51(69)64-27-13-24-46(64)52(70)63(26-12-18-34-14-3-1-4-15-34)33-47(65)59-44(29-36-31-57-40-21-9-7-19-38(36)40)49(67)61-43(28-35-16-5-2-6-17-35)48(66)62-45(50(68)60-42)30-37-32-58-41-22-10-8-20-39(37)41/h1-10,14-17,19-22,31-32,42-46,57-58H,11-13,18,23-30,33H2,(H,59,65)(H,60,68)(H,61,67)(H,62,66)(H4,54,55,56)/t42-,43+,44-,45-,46+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	96	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))	BDBM50250388 (CHEMBL4099374) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O |r| Show InChI InChI=1S/C53H61N11O6/c54-53(55)56-25-11-23-42-51(69)64-27-13-24-46(64)52(70)63(26-12-18-34-14-3-1-4-15-34)33-47(65)59-44(29-36-31-57-40-21-9-7-19-38(36)40)49(67)61-43(28-35-16-5-2-6-17-35)48(66)62-45(50(68)60-42)30-37-32-58-41-22-10-8-20-39(37)41/h1-10,14-17,19-22,31-32,42-46,57-58H,11-13,18,23-30,33H2,(H,59,65)(H,60,68)(H,61,67)(H,62,66)(H4,54,55,56)/t42-,43+,44-,45-,46+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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