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SMILES: Cn1cnc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(CCCc3ccccc3)C(=O)[C@H]3CCCN3C2=O)c1

InChI Key: InChIKey=LJAOCDVPHBKVRC-UFNCVGPKSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50250385   
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))
BDBM50250385
PNG
(CHEMBL4074560)
Show SMILES Cn1cnc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(CCCc3ccccc3)C(=O)[C@H]3CCCN3C2=O)c1 |r|
Show InChI InChI=1S/C54H58N10O6/c1-62-32-39(57-34-62)29-47-53(69)64-25-13-23-48(64)54(70)63(24-12-18-35-14-4-2-5-15-35)33-49(65)58-45(27-37-30-55-42-21-10-8-19-40(37)42)51(67)59-44(26-36-16-6-3-7-17-36)50(66)60-46(52(68)61-47)28-38-31-56-43-22-11-9-20-41(38)43/h2-11,14-17,19-22,30-32,34,44-48,55-56H,12-13,18,23-29,33H2,1H3,(H,58,65)(H,59,67)(H,60,66)(H,61,68)/t44-,45+,46+,47+,48-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
398n/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))
BDBM50250385
PNG
(CHEMBL4074560)
Show SMILES Cn1cnc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(CCCc3ccccc3)C(=O)[C@H]3CCCN3C2=O)c1 |r|
Show InChI InChI=1S/C54H58N10O6/c1-62-32-39(57-34-62)29-47-53(69)64-25-13-23-48(64)54(70)63(24-12-18-35-14-4-2-5-15-35)33-49(65)58-45(27-37-30-55-42-21-10-8-19-40(37)42)51(67)59-44(26-36-16-6-3-7-17-36)50(66)60-46(52(68)61-47)28-38-31-56-43-22-11-9-20-41(38)43/h2-11,14-17,19-22,30-32,34,44-48,55-56H,12-13,18,23-29,33H2,1H3,(H,58,65)(H,59,67)(H,60,66)(H,61,68)/t44-,45+,46+,47+,48-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
410n/an/an/an/an/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