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6 similar compounds to monomer 50385613

Compile data set for download or QSAR
Wt: 728.8
BDBM50385612
Wt: 728.8
BDBM50385609
Wt: 728.8
BDBM50385610
Wt: 728.8
BDBM50385611
Wt: 728.8
BDBM50385614
Wt: 728.8
BDBM50385615

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50385612,50385609,50385610,50385611,50385614,50385615   
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))
BDBM50385609
PNG
(CHEMBL2042234)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)N=C(N)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
Show InChI InChI=1S/C36H48N12O5/c37-31-28(18-21-10-13-25(49)14-11-21)45-30(50)20-44-32(51)29(19-22-9-12-23-5-1-2-6-24(23)17-22)48-34(53)27(8-4-16-43-36(40)41)47-33(52)26(46-31)7-3-15-42-35(38)39/h1-2,5-6,9-14,17,26-29,49H,3-4,7-8,15-16,18-20H2,(H2,37,46)(H,44,51)(H,45,50)(H,47,52)(H,48,53)(H4,38,39,42)(H4,40,41,43)/t26-,27-,28-,29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 334n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting


ACS Med Chem Lett 2: 477-480 (2011)


Article DOI: 10.1021/ml200047e
BindingDB Entry DOI: 10.7270/Q2D21ZNH
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50385610
PNG
(CHEMBL2042233)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)N=C(N)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
Show InChI InChI=1S/C36H48N12O5/c37-31-28(18-21-10-13-25(49)14-11-21)45-30(50)20-44-32(51)29(19-22-9-12-23-5-1-2-6-24(23)17-22)48-34(53)27(8-4-16-43-36(40)41)47-33(52)26(46-31)7-3-15-42-35(38)39/h1-2,5-6,9-14,17,26-29,49H,3-4,7-8,15-16,18-20H2,(H2,37,46)(H,44,51)(H,45,50)(H,47,52)(H,48,53)(H4,38,39,42)(H4,40,41,43)/t26-,27-,28+,29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 679n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting


ACS Med Chem Lett 2: 477-480 (2011)


Article DOI: 10.1021/ml200047e
BindingDB Entry DOI: 10.7270/Q2D21ZNH
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50385615
PNG
(CHEMBL2042117)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)N=C(N)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
Show InChI InChI=1S/C36H48N12O5/c37-30-20-44-31(50)28(19-22-9-12-23-5-1-2-6-24(23)17-22)48-33(52)27(8-4-16-43-36(40)41)46-32(51)26(7-3-15-42-35(38)39)47-34(53)29(45-30)18-21-10-13-25(49)14-11-21/h1-2,5-6,9-14,17,26-29,49H,3-4,7-8,15-16,18-20H2,(H2,37,45)(H,44,50)(H,46,51)(H,47,53)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t26-,27-,28-,29+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting


ACS Med Chem Lett 2: 477-480 (2011)


Article DOI: 10.1021/ml200047e
BindingDB Entry DOI: 10.7270/Q2D21ZNH
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50385612
PNG
(CHEMBL2042120)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)N=C(N)[C@H](CCCN=C(N)N)NC1=O
Show InChI InChI=1S/C36H48N12O5/c37-31-26(7-3-15-42-35(38)39)47-33(52)27(8-4-16-43-36(40)41)48-34(53)29(18-21-10-13-25(49)14-11-21)45-30(50)20-44-32(51)28(46-31)19-22-9-12-23-5-1-2-6-24(23)17-22/h1-2,5-6,9-14,17,26-29,49H,3-4,7-8,15-16,18-20H2,(H2,37,46)(H,44,51)(H,45,50)(H,47,52)(H,48,53)(H4,38,39,42)(H4,40,41,43)/t26-,27-,28-,29+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting


ACS Med Chem Lett 2: 477-480 (2011)


Article DOI: 10.1021/ml200047e
BindingDB Entry DOI: 10.7270/Q2D21ZNH
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50385614
PNG
(CHEMBL2042118)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN=C(N)[C@H](Cc2ccc3ccccc3c2)NC1=O
Show InChI InChI=1S/C36H48N12O5/c37-31-28(19-22-9-12-23-5-1-2-6-24(23)17-22)48-33(52)27(8-4-16-43-36(40)41)46-32(51)26(7-3-15-42-35(38)39)47-34(53)29(45-30(50)20-44-31)18-21-10-13-25(49)14-11-21/h1-2,5-6,9-14,17,26-29,49H,3-4,7-8,15-16,18-20H2,(H2,37,44)(H,45,50)(H,46,51)(H,47,53)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t26-,27-,28-,29+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting


ACS Med Chem Lett 2: 477-480 (2011)


Article DOI: 10.1021/ml200047e
BindingDB Entry DOI: 10.7270/Q2D21ZNH
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50385611
PNG
(CHEMBL2042232)
Show SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)N=C1N
Show InChI InChI=1S/C36H48N12O5/c37-31-26(7-3-15-42-35(38)39)47-34(53)29(18-21-10-13-25(49)14-11-21)45-30(50)20-44-32(51)28(19-22-9-12-23-5-1-2-6-24(23)17-22)48-33(52)27(46-31)8-4-16-43-36(40)41/h1-2,5-6,9-14,17,26-29,49H,3-4,7-8,15-16,18-20H2,(H2,37,46)(H,44,51)(H,45,50)(H,47,53)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t26-,27-,28-,29+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting


ACS Med Chem Lett 2: 477-480 (2011)


Article DOI: 10.1021/ml200047e
BindingDB Entry DOI: 10.7270/Q2D21ZNH
More data for this
Ligand-Target Pair