BindingDB logo
myBDB logout

null

SMILES: CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O

InChI Key: InChIKey=IOODMKNDAFIYPA-POAYWABDSA-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 = 50250373   
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))
BDBM50250373
PNG
(CHEMBL4089847)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C47H61F2N7O6S/c1-47(2,3)26-39-44(60)53-38(25-34-28-63-29-50-34)45(61)56-21-11-17-40(56)46(62)55(20-10-16-32-18-19-33(48)24-35(32)49)27-41(57)51-36(22-30-12-6-4-7-13-30)42(58)52-37(43(59)54-39)23-31-14-8-5-9-15-31/h5,8-9,14-15,18-19,24,28-30,36-40H,4,6-7,10-13,16-17,20-23,25-27H2,1-3H3,(H,51,57)(H,52,58)(H,53,60)(H,54,59)/t36-,37+,38-,39-,40+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
32n/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
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250373
PNG
(CHEMBL4089847)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C47H61F2N7O6S/c1-47(2,3)26-39-44(60)53-38(25-34-28-63-29-50-34)45(61)56-21-11-17-40(56)46(62)55(20-10-16-32-18-19-33(48)24-35(32)49)27-41(57)51-36(22-30-12-6-4-7-13-30)42(58)52-37(43(59)54-39)23-31-14-8-5-9-15-31/h5,8-9,14-15,18-19,24,28-30,36-40H,4,6-7,10-13,16-17,20-23,25-27H2,1-3H3,(H,51,57)(H,52,58)(H,53,60)(H,54,59)/t36-,37+,38-,39-,40+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
34n/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