BindingDB logo
myBDB logout

null

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)[C@@H]2Cc3ccccc3CN2C(=O)[C@H]2CCCN2C1=O

InChI Key: InChIKey=KRGCPVLNPLKSJO-XQKZCLNASA-N

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 = 50250377   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250377
PNG
(CHEMBL4070758)
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)[C@@H]2Cc3ccccc3CN2C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C52H57N11O6/c53-52(54)55-22-10-20-40-50(68)62-23-11-21-44(62)51(69)63-30-33-15-5-4-14-32(33)27-45(63)49(67)61-43(26-35-29-57-39-19-9-7-17-37(35)39)48(66)59-41(24-31-12-2-1-3-13-31)46(64)60-42(47(65)58-40)25-34-28-56-38-18-8-6-16-36(34)38/h1-9,12-19,28-29,40-45,56-57H,10-11,20-27,30H2,(H,58,65)(H,59,66)(H,60,64)(H,61,67)(H4,53,54,55)/t40-,41+,42-,43-,44+,45-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10E+3n/an/an/an/an/an/an/an/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
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250377
PNG
(CHEMBL4070758)
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)[C@@H]2Cc3ccccc3CN2C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C52H57N11O6/c53-52(54)55-22-10-20-40-50(68)62-23-11-21-44(62)51(69)63-30-33-15-5-4-14-32(33)27-45(63)49(67)61-43(26-35-29-57-39-19-9-7-17-37(35)39)48(66)59-41(24-31-12-2-1-3-13-31)46(64)60-42(47(65)58-40)25-34-28-56-38-18-8-6-16-36(34)38/h1-9,12-19,28-29,40-45,56-57H,10-11,20-27,30H2,(H,58,65)(H,59,66)(H,60,64)(H,61,67)(H4,53,54,55)/t40-,41+,42-,43-,44+,45-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 46n/an/an/an/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