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2 similar compounds to monomer 50100615

Wt: 623.7
BDBM50100601
Wt: 538.7
BDBM50100609

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50100601,50100609   
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 4 (CXCR4)


(Homo sapiens (Human))
BDBM50100601
PNG
(CHEMBL3327368)
Show SMILES NC(=N)NCCC[C@H]1NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1/C29H41N11O5/c30-28(31)34-11-3-7-20-26(44)39-21(8-4-12-35-29(32)33)27(45)40-22(25(43)37-15-23(41)36-16-24(42)38-20)14-17-9-10-18-5-1-2-6-19(18)13-17/h1-2,5-6,9-10,13,20-22H,3-4,7-8,11-12,14-16H2,(H,36,41)(H,37,43)(H,38,42)(H,39,44)(H,40,45)(H4,30,31,34)(H4,32,33,35)/t20-,21+,22+/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.40E+4n/an/an/an/a



Department of Pharmacy, Faculty of Health Sciences, UiT The Arctic University of Norway, Breivika, NO-9037 Tromsų, Norway.

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation...


Bioorg Med Chem 22: 4759-69 (2014)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50100609
PNG
(CHEMBL3327375)
Show SMILES NC(=N)NCCC[C@H]1CS[C@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N2C1=O
Show InChI InChI=1/C27H38N8O2S/c28-26(29)32-12-3-7-21-17-38-23-16-34(14-11-18-9-10-19-5-1-2-6-20(19)15-18)25(37)22(35(23)24(21)36)8-4-13-33-27(30)31/h1-2,5-6,9-10,15,21-23H,3-4,7-8,11-14,16-17H2,(H4,28,29,32)(H4,30,31,33)/t21-,22-,23-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.94E+4n/an/an/an/a



Department of Pharmacy, Faculty of Health Sciences, UiT The Arctic University of Norway, Breivika, NO-9037 Tromsų, Norway.

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation...


Bioorg Med Chem 22: 4759-69 (2014)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50100601
PNG
(CHEMBL3327368)
Show SMILES NC(=N)NCCC[C@H]1NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1/C29H41N11O5/c30-28(31)34-11-3-7-20-26(44)39-21(8-4-12-35-29(32)33)27(45)40-22(25(43)37-15-23(41)36-16-24(42)38-20)14-17-9-10-18-5-1-2-6-19(18)13-17/h1-2,5-6,9-10,13,20-22H,3-4,7-8,11-12,14-16H2,(H,36,41)(H,37,43)(H,38,42)(H,39,44)(H,40,45)(H4,30,31,34)(H4,32,33,35)/t20-,21+,22+/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.37E+4n/an/an/an/a



Department of Pharmacy, Faculty of Health Sciences, UiT The Arctic University of Norway, Breivika, NO-9037 Tromsų, Norway.

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation...


Bioorg Med Chem 22: 4759-69 (2014)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50100609
PNG
(CHEMBL3327375)
Show SMILES NC(=N)NCCC[C@H]1CS[C@H]2CN(CCc3ccc4ccccc4c3)C(=O)[C@H](CCCNC(N)=N)N2C1=O
Show InChI InChI=1/C27H38N8O2S/c28-26(29)32-12-3-7-21-17-38-23-16-34(14-11-18-9-10-19-5-1-2-6-20(19)15-18)25(37)22(35(23)24(21)36)8-4-13-33-27(30)31/h1-2,5-6,9-10,15,21-23H,3-4,7-8,11-14,16-17H2,(H4,28,29,32)(H4,30,31,33)/t21-,22-,23-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.00E+4n/an/an/an/a



Department of Pharmacy, Faculty of Health Sciences, UiT The Arctic University of Norway, Breivika, NO-9037 Tromsų, Norway.

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation...


Bioorg Med Chem 22: 4759-69 (2014)

More data for this
Ligand-Target Pair