BDBM50250382 CHEMBL4092596

SMILES: O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1

InChI Key: InChIKey=VJQJNPROJBQZKY-YKORCUBHSA-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 = 50250382   

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))	BDBM50250382 (CHEMBL4092596) Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r| Show InChI InChI=1S/C55H57N9O6/c65-50-35-63(27-11-17-36-13-3-1-4-14-36)55(70)49-22-12-28-64(49)54(69)48(30-38-23-25-56-26-24-38)62-53(68)47(32-40-34-58-44-21-10-8-19-42(40)44)61-51(66)45(29-37-15-5-2-6-16-37)60-52(67)46(59-50)31-39-33-57-43-20-9-7-18-41(39)43/h1-10,13-16,18-21,23-26,33-34,45-49,57-58H,11-12,17,22,27-32,35H2,(H,59,65)(H,60,67)(H,61,66)(H,62,68)/t45-,46+,47+,48+,49-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	189	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))	BDBM50250382 (CHEMBL4092596) Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r| Show InChI InChI=1S/C55H57N9O6/c65-50-35-63(27-11-17-36-13-3-1-4-14-36)55(70)49-22-12-28-64(49)54(69)48(30-38-23-25-56-26-24-38)62-53(68)47(32-40-34-58-44-21-10-8-19-42(40)44)61-51(66)45(29-37-15-5-2-6-16-37)60-52(67)46(59-50)31-39-33-57-43-20-9-7-18-41(39)43/h1-10,13-16,18-21,23-26,33-34,45-49,57-58H,11-12,17,22,27-32,35H2,(H,59,65)(H,60,67)(H,61,66)(H,62,68)/t45-,46+,47+,48+,49-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	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