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BDBM50263941 CHEMBL4092022

SMILES: CN1[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2ccccc2F)C(=O)N[C@@H](CCCCNC(N)=N)C1=O

InChI Key: InChIKey=FQTWFTGLZUNMAL-RSKNNDJWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50263941   
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
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))		BDBM50263941
PNG
(CHEMBL4092022)
Show SMILES CN1[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2ccccc2F)C(=O)N[C@@H](CCCCNC(N)=N)C1=O |r|
Show InChI InChI=1S/C51H62FN11O5/c1-62-43(23-10-12-27-58-51(55)56)46(65)61-42(29-32-24-25-33-14-3-4-16-35(33)28-32)49(68)63(2)44(31-36-19-13-18-34-15-5-7-20-38(34)36)47(66)60-41(30-37-17-6-8-21-39(37)52)45(64)59-40(48(62)67)22-9-11-26-57-50(53)54/h3-8,13-21,24-25,28,40-44H,9-12,22-23,26-27,29-31H2,1-2H3,(H,59,64)(H,60,66)(H,61,65)(H4,53,54,57)(H4,55,56,58)/t40-,41+,42-,43-,44-/m0/s1
UniProtKB/SwissProt

antibodypedia
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AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method

J Med Chem 61: 3745-3751 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00336
BindingDB Entry DOI: 10.7270/Q23B62M5
More data for this
Ligand-Target Pair