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)) | BDBM50327368
(CHEMBL4167467)Show SMILES C(CN(C[C@@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r| Show InChI InChI=1S/C26H29FN4O/c1-30(2)22-11-7-20(8-12-22)9-13-24-26(29-23-14-10-21(27)19-25(23)28-24)32-18-6-17-31-15-4-3-5-16-31/h7-8,10-12,14,19H,3-6,15-18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1... |
ACS Med Chem Lett 9: 446-451 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00030
BindingDB Entry DOI: 10.7270/Q2Z89FZD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5
(Homo sapiens (Human)) | BDBM50327368
(CHEMBL4167467)Show SMILES C(CN(C[C@@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r| Show InChI InChI=1S/C26H29FN4O/c1-30(2)22-11-7-20(8-12-22)9-13-24-26(29-23-14-10-21(27)19-25(23)28-24)32-18-6-17-31-15-4-3-5-16-31/h7-8,10-12,14,19H,3-6,15-18H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Antagonist activity at mAChR in human CCRF-CEM cells assessed as inhibition of acetylcholine-induced calcium flux pretreated for 25 mins followed by ... |
ACS Med Chem Lett 9: 446-451 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00030
BindingDB Entry DOI: 10.7270/Q2Z89FZD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50327368
(CHEMBL4167467)Show SMILES C(CN(C[C@@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r| Show InChI InChI=1S/C26H29FN4O/c1-30(2)22-11-7-20(8-12-22)9-13-24-26(29-23-14-10-21(27)19-25(23)28-24)32-18-6-17-31-15-4-3-5-16-31/h7-8,10-12,14,19H,3-6,15-18H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | 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 insect cell microsomes using AMMC as substrate pretreated for 30 mins followed by NADPH addition ... |
ACS Med Chem Lett 9: 446-451 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00030
BindingDB Entry DOI: 10.7270/Q2Z89FZD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50327368
(CHEMBL4167467)Show SMILES C(CN(C[C@@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r| Show InChI InChI=1S/C26H29FN4O/c1-30(2)22-11-7-20(8-12-22)9-13-24-26(29-23-14-10-21(27)19-25(23)28-24)32-18-6-17-31-15-4-3-5-16-31/h7-8,10-12,14,19H,3-6,15-18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+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) |
ACS Med Chem Lett 9: 446-451 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00030
BindingDB Entry DOI: 10.7270/Q2Z89FZD |
More data for this
Ligand-Target Pair | |