Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50046688 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)) | BDBM50125958
(CHEMBL3627862)Show SMILES NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C24H34ClN5O2S/c25-20-8-10-22(11-9-20)33(31,32)30-16-14-27-21(18-30)17-29(15-2-1-12-26)23-7-3-5-19-6-4-13-28-24(19)23/h4,6,8-11,13,21,23,27H,1-3,5,7,12,14-18,26H2/t21-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125954
(CHEMBL3627858)Show SMILES NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C24H35N5O2S/c25-13-4-5-16-28(23-12-6-8-20-9-7-14-27-24(20)23)18-21-19-29(17-15-26-21)32(30,31)22-10-2-1-3-11-22/h1-3,7,9-11,14,21,23,26H,4-6,8,12-13,15-19,25H2/t21-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125950
(CHEMBL3627793)Show SMILES NCCCCN(C[C@H]1CN(CCN1)C(=O)c1ccccc1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C25H35N5O/c26-13-4-5-16-29(23-12-6-10-20-11-7-14-28-24(20)23)18-22-19-30(17-15-27-22)25(31)21-8-2-1-3-9-21/h1-3,7-9,11,14,22-23,27H,4-6,10,12-13,15-19,26H2/t22-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125951
(CHEMBL3627794)Show SMILES NCCCCN(C[C@@H]1CN(CCN1)C(=O)c1ccccc1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C25H35N5O/c26-13-4-5-16-29(23-12-6-10-20-11-7-14-28-24(20)23)18-22-19-30(17-15-27-22)25(31)21-8-2-1-3-9-21/h1-3,7-9,11,14,22-23,27H,4-6,10,12-13,15-19,26H2/t22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125953
(CHEMBL3627799)Show SMILES NCCCCN(C[C@H]1CN(CCN1)C(=O)OCc1ccccc1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C26H37N5O2/c27-13-4-5-16-30(24-12-6-10-22-11-7-14-29-25(22)24)18-23-19-31(17-15-28-23)26(32)33-20-21-8-2-1-3-9-21/h1-3,7-9,11,14,23-24,28H,4-6,10,12-13,15-20,27H2/t23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125955
(CHEMBL3627859)Show SMILES NCCCCN(C[C@@H]1CN(CCN1)S(=O)(=O)c1ccccc1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C24H35N5O2S/c25-13-4-5-16-28(23-12-6-8-20-9-7-14-27-24(20)23)18-21-19-29(17-15-26-21)32(30,31)22-10-2-1-3-11-22/h1-3,7,9-11,14,21,23,26H,4-6,8,12-13,15-19,25H2/t21-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125952
(CHEMBL3627798)Show SMILES NCCCCN(C[C@@H]1CN(CCN1)C(=O)c1ccco1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C23H33N5O2/c24-10-1-2-13-27(20-8-3-6-18-7-4-11-26-22(18)20)16-19-17-28(14-12-25-19)23(29)21-9-5-15-30-21/h4-5,7,9,11,15,19-20,25H,1-3,6,8,10,12-14,16-17,24H2/t19-,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125957
(CHEMBL3627861)Show SMILES NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c1cc2ccccc2s1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C26H35N5O2S2/c27-12-3-4-15-30(23-10-5-8-20-9-6-13-29-26(20)23)18-22-19-31(16-14-28-22)35(32,33)25-17-21-7-1-2-11-24(21)34-25/h1-2,6-7,9,11,13,17,22-23,28H,3-5,8,10,12,14-16,18-19,27H2/t22-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125956
(CHEMBL3627860)Show SMILES NCCCCN(C[C@H]1CN(CCN1)S(=O)(=O)c1ccc2ccccc2c1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C28H37N5O2S/c29-14-3-4-17-32(27-11-5-9-23-10-6-15-31-28(23)27)20-25-21-33(18-16-30-25)36(34,35)26-13-12-22-7-1-2-8-24(22)19-26/h1-2,6-8,10,12-13,15,19,25,27,30H,3-5,9,11,14,16-18,20-21,29H2/t25-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50443541
(CHEMBL3091687)Show SMILES NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125948
(CHEMBL3627790)Show SMILES NCCCCN(CC1CN(CCN1)c1ccccc1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C24H35N5/c25-13-4-5-16-29(23-12-6-8-20-9-7-14-27-24(20)23)19-21-18-28(17-15-26-21)22-10-2-1-3-11-22/h1-3,7,9-11,14,21,23,26H,4-6,8,12-13,15-19,25H2/t21?,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125949
(CHEMBL3627791)Show SMILES NCCCCN(C[C@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C25H37N5/c26-13-4-5-16-30(24-12-6-10-22-11-7-14-28-25(22)24)20-23-19-29(17-15-27-23)18-21-8-2-1-3-9-21/h1-3,7-9,11,14,23-24,27H,4-6,10,12-13,15-20,26H2/t23-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125946
(CHEMBL3627788)Show SMILES NCCCCN(C[C@H]1CNCCN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C18H31N5/c19-8-1-2-12-23(14-16-13-20-10-11-21-16)17-7-3-5-15-6-4-9-22-18(15)17/h4,6,9,16-17,20-21H,1-3,5,7-8,10-14,19H2/t16-,17+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 255 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125947
(CHEMBL3627789)Show SMILES NCCCCN(C[C@@H]1CNCCN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C18H31N5/c19-8-1-2-12-23(14-16-13-20-10-11-21-16)17-7-3-5-15-6-4-9-22-18(15)17/h4,6,9,16-17,20-21H,1-3,5,7-8,10-14,19H2/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125945
(CHEMBL3627792)Show SMILES NCCCCN(C[C@@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C25H37N5/c26-13-4-5-16-30(24-12-6-10-22-11-7-14-28-25(22)24)20-23-19-29(17-15-27-23)18-21-8-2-1-3-9-21/h1-3,7-9,11,14,23-24,27H,4-6,10,12-13,15-20,26H2/t23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125945
(CHEMBL3627792)Show SMILES NCCCCN(C[C@@H]1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C25H37N5/c26-13-4-5-16-30(24-12-6-10-22-11-7-14-28-25(22)24)20-23-19-29(17-15-27-23)18-21-8-2-1-3-9-21/h1-3,7-9,11,14,23-24,27H,4-6,10,12-13,15-20,26H2/t23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50125959
(CHEMBL3627863)Show SMILES NCCCCN(C[C@H]1CN(CCN1)C(=O)Nc1ccccc1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C25H36N6O/c26-13-4-5-16-30(23-12-6-8-20-9-7-14-28-24(20)23)18-22-19-31(17-15-27-22)25(32)29-21-10-2-1-3-11-21/h1-3,7,9-11,14,22-23,27H,4-6,8,12-13,15-19,26H2,(H,29,32)/t22-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory Institute for Drug Development
Curated by ChEMBL
| Assay Description
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) |
Bioorg Med Chem Lett 25: 4950-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.036
BindingDB Entry DOI: 10.7270/Q24Q7WST |
More data for this
Ligand-Target Pair | |
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