Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50039749 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50363984
(CHEMBL1949730)Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r| Show InChI InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)46-27(8-4-16-42-36(38)39)33(52)47-28(20-23-10-13-24-6-2-3-7-25(24)18-23)32(51)44-21-31(50)45-29(35(48)54)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29+,30+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr |
J Med Chem 55: 2746-57 (2012)
Article DOI: 10.1021/jm2016914
BindingDB Entry DOI: 10.7270/Q2FJ2HTW |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50166106
(CHEMBL436283 | N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr |
J Med Chem 55: 2746-57 (2012)
Article DOI: 10.1021/jm2016914
BindingDB Entry DOI: 10.7270/Q2FJ2HTW |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50383301
(CHEMBL2029611)Show SMILES [#6]\[#6]-1=[#6](-[#6])/[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H]1-[#6]-c1ccc(-[#8])cc1 |r,t:1| Show InChI InChI=1S/C39H52N10O5/c1-23-24(2)32(20-25-12-15-29(50)16-13-25)47-34(51)22-46-36(53)33(21-26-11-14-27-7-3-4-8-28(27)19-26)49-37(54)31(10-6-18-45-39(42)43)48-35(52)30(23)9-5-17-44-38(40)41/h3-4,7-8,11-16,19,30-33,50H,5-6,9-10,17-18,20-22H2,1-2H3,(H,46,53)(H,47,51)(H,48,52)(H,49,54)(H4,40,41,44)(H4,42,43,45)/b24-23+/t30-,31+,32-,33+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr |
J Med Chem 55: 2746-57 (2012)
Article DOI: 10.1021/jm2016914
BindingDB Entry DOI: 10.7270/Q2FJ2HTW |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50383303
(CHEMBL2029613)Show SMILES [#6]-[#7]-1-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6]-1=O |r| Show InChI InChI=1S/C37H49N11O6/c1-48-30(9-5-17-43-37(40)41)34(53)46-27(8-4-16-42-36(38)39)33(52)47-28(20-23-10-13-24-6-2-3-7-25(24)18-23)32(51)44-21-31(50)45-29(35(48)54)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t27-,28-,29+,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr |
J Med Chem 55: 2746-57 (2012)
Article DOI: 10.1021/jm2016914
BindingDB Entry DOI: 10.7270/Q2FJ2HTW |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50383298
(CHEMBL2029608)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])\[#6]=[#6]\[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r,t:19| Show InChI InChI=1S/C37H48N10O5/c38-36(39)42-17-3-7-26-13-14-28(20-23-10-15-29(48)16-11-23)45-32(49)22-44-34(51)31(21-24-9-12-25-5-1-2-6-27(25)19-24)47-35(52)30(46-33(26)50)8-4-18-43-37(40)41/h1-2,5-6,9-16,19,26,28,30-31,48H,3-4,7-8,17-18,20-22H2,(H,44,51)(H,45,49)(H,46,50)(H,47,52)(H4,38,39,42)(H4,40,41,43)/b14-13+/t26-,28-,30-,31-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr |
J Med Chem 55: 2746-57 (2012)
Article DOI: 10.1021/jm2016914
BindingDB Entry DOI: 10.7270/Q2FJ2HTW |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50383299
(CHEMBL2029609)Show SMILES [#6]\[#6]-1=[#6]/[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H]1-[#6]-c1ccc(-[#8])cc1 |r,c:1| Show InChI InChI=1S/C38H50N10O5/c1-23-18-28(8-4-16-43-37(39)40)34(51)47-30(9-5-17-44-38(41)42)36(53)48-32(21-25-10-13-26-6-2-3-7-27(26)19-25)35(52)45-22-33(50)46-31(23)20-24-11-14-29(49)15-12-24/h2-3,6-7,10-15,18-19,28,30-32,49H,4-5,8-9,16-17,20-22H2,1H3,(H,45,52)(H,46,50)(H,47,51)(H,48,53)(H4,39,40,43)(H4,41,42,44)/b23-18+/t28-,30-,31+,32-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr |
J Med Chem 55: 2746-57 (2012)
Article DOI: 10.1021/jm2016914
BindingDB Entry DOI: 10.7270/Q2FJ2HTW |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50383300
(CHEMBL2029610)Show SMILES [#6]\[#6]-1=[#6](-[#6])/[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H]1-[#6]-c1ccc(-[#8])cc1 |r,t:1| Show InChI InChI=1S/C39H52N10O5/c1-23-24(2)32(20-25-12-15-29(50)16-13-25)47-34(51)22-46-36(53)33(21-26-11-14-27-7-3-4-8-28(27)19-26)49-37(54)31(10-6-18-45-39(42)43)48-35(52)30(23)9-5-17-44-38(40)41/h3-4,7-8,11-16,19,30-33,50H,5-6,9-10,17-18,20-22H2,1-2H3,(H,46,53)(H,47,51)(H,48,52)(H,49,54)(H4,40,41,44)(H4,42,43,45)/b24-23+/t30-,31-,32+,33-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr |
J Med Chem 55: 2746-57 (2012)
Article DOI: 10.1021/jm2016914
BindingDB Entry DOI: 10.7270/Q2FJ2HTW |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50383302
(CHEMBL2029612)Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C37H50N10O5/c38-36(39)42-17-3-7-26-13-14-28(20-23-10-15-29(48)16-11-23)45-32(49)22-44-34(51)31(21-24-9-12-25-5-1-2-6-27(25)19-24)47-35(52)30(46-33(26)50)8-4-18-43-37(40)41/h1-2,5-6,9-12,15-16,19,26,28,30-31,48H,3-4,7-8,13-14,17-18,20-22H2,(H,44,51)(H,45,49)(H,46,50)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t26-,28+,30-,31-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr |
J Med Chem 55: 2746-57 (2012)
Article DOI: 10.1021/jm2016914
BindingDB Entry DOI: 10.7270/Q2FJ2HTW |
More data for this
Ligand-Target Pair | |
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