Found 4 hits in this display 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)) | BDBM50270046
(CHEMBL4059462)Show SMILES CC1(C)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C31H46N4/c1-31(2)16-14-27(15-17-31)32-18-5-6-20-35(29-13-7-11-24-12-8-19-33-30(24)29)23-28-21-25-9-3-4-10-26(25)22-34-28/h3-4,8-10,12,19,27-29,32,34H,5-7,11,13-18,20-23H2,1-2H3/t28-,29+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF... |
J Med Chem 61: 946-979 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01420
BindingDB Entry DOI: 10.7270/Q2KH0QTH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50270046
(CHEMBL4059462)Show SMILES CC1(C)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C31H46N4/c1-31(2)16-14-27(15-17-31)32-18-5-6-20-35(29-13-7-11-24-12-8-19-33-30(24)29)23-28-21-25-9-3-4-10-26(25)22-34-28/h3-4,8-10,12,19,27-29,32,34H,5-7,11,13-18,20-23H2,1-2H3/t28-,29+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP2D6 expressed in microsomes of insect cells using AMMC as substrate preincubated for 30 mins followed by NADP addi... |
J Med Chem 61: 946-979 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01420
BindingDB Entry DOI: 10.7270/Q2KH0QTH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50270046
(CHEMBL4059462)Show SMILES CC1(C)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C31H46N4/c1-31(2)16-14-27(15-17-31)32-18-5-6-20-35(29-13-7-11-24-12-8-19-33-30(24)29)23-28-21-25-9-3-4-10-26(25)22-34-28/h3-4,8-10,12,19,27-29,32,34H,5-7,11,13-18,20-23H2,1-2H3/t28-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 61: 946-979 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01420
BindingDB Entry DOI: 10.7270/Q2KH0QTH |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50270046
(CHEMBL4059462)Show SMILES CC1(C)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C31H46N4/c1-31(2)16-14-27(15-17-31)32-18-5-6-20-35(29-13-7-11-24-12-8-19-33-30(24)29)23-28-21-25-9-3-4-10-26(25)22-34-28/h3-4,8-10,12,19,27-29,32,34H,5-7,11,13-18,20-23H2,1-2H3/t28-,29+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF... |
J Med Chem 61: 946-979 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01420
BindingDB Entry DOI: 10.7270/Q2KH0QTH |
More data for this
Ligand-Target Pair | |