Found 3 hits for monomerid = 50561917 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50561917
(CHEMBL4789939)Show SMILES CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(/NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12 |r,wU:27.30,wD:24.23,t:43,46,(47.96,-8.38,;49.3,-9.15,;50.63,-8.38,;50.63,-6.84,;51.96,-9.15,;53.3,-8.38,;54.63,-9.15,;55.96,-8.38,;55.96,-6.84,;57.3,-9.15,;58.63,-8.38,;59.97,-9.15,;61.3,-8.38,;62.63,-9.15,;63.97,-8.38,;65.3,-9.15,;65.3,-10.69,;66.63,-8.38,;67.97,-9.15,;69.3,-8.38,;70.64,-9.15,;70.64,-10.69,;71.97,-8.38,;73.3,-9.15,;74.64,-8.38,;75.97,-9.15,;77.3,-8.39,;77.31,-6.85,;75.97,-6.07,;74.63,-6.84,;78.64,-6.08,;79.97,-6.86,;79.97,-8.4,;81.3,-9.17,;81.28,-10.71,;82.61,-11.49,;83.95,-10.73,;83.96,-9.19,;82.63,-8.4,;81.31,-6.09,;82.64,-6.87,;83.98,-6.1,;85.38,-6.74,;86.41,-5.6,;85.65,-4.26,;85.82,-2.73,;84.41,-2.09,;83.32,-1,;84.81,-.59,;83.38,-3.24,;84.14,-4.57,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells measured after 90 mins |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00444
BindingDB Entry DOI: 10.7270/Q2M04947 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50561917
(CHEMBL4789939)Show SMILES CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(/NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12 |r,wU:27.30,wD:24.23,t:43,46,(47.96,-8.38,;49.3,-9.15,;50.63,-8.38,;50.63,-6.84,;51.96,-9.15,;53.3,-8.38,;54.63,-9.15,;55.96,-8.38,;55.96,-6.84,;57.3,-9.15,;58.63,-8.38,;59.97,-9.15,;61.3,-8.38,;62.63,-9.15,;63.97,-8.38,;65.3,-9.15,;65.3,-10.69,;66.63,-8.38,;67.97,-9.15,;69.3,-8.38,;70.64,-9.15,;70.64,-10.69,;71.97,-8.38,;73.3,-9.15,;74.64,-8.38,;75.97,-9.15,;77.3,-8.39,;77.31,-6.85,;75.97,-6.07,;74.63,-6.84,;78.64,-6.08,;79.97,-6.86,;79.97,-8.4,;81.3,-9.17,;81.28,-10.71,;82.61,-11.49,;83.95,-10.73,;83.96,-9.19,;82.63,-8.4,;81.31,-6.09,;82.64,-6.87,;83.98,-6.1,;85.38,-6.74,;86.41,-5.6,;85.65,-4.26,;85.82,-2.73,;84.41,-2.09,;83.32,-1,;84.81,-.59,;83.38,-3.24,;84.14,-4.57,)| | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.45E+5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HIV1 3B reverse transcriptase infected in human GHOST CXCR4 cells assessed as reduction in viral replication incubated for 60 to 90 min... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00444
BindingDB Entry DOI: 10.7270/Q2M04947 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50561917
(CHEMBL4789939)Show SMILES CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(/NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12 |r,wU:27.30,wD:24.23,t:43,46,(47.96,-8.38,;49.3,-9.15,;50.63,-8.38,;50.63,-6.84,;51.96,-9.15,;53.3,-8.38,;54.63,-9.15,;55.96,-8.38,;55.96,-6.84,;57.3,-9.15,;58.63,-8.38,;59.97,-9.15,;61.3,-8.38,;62.63,-9.15,;63.97,-8.38,;65.3,-9.15,;65.3,-10.69,;66.63,-8.38,;67.97,-9.15,;69.3,-8.38,;70.64,-9.15,;70.64,-10.69,;71.97,-8.38,;73.3,-9.15,;74.64,-8.38,;75.97,-9.15,;77.3,-8.39,;77.31,-6.85,;75.97,-6.07,;74.63,-6.84,;78.64,-6.08,;79.97,-6.86,;79.97,-8.4,;81.3,-9.17,;81.28,-10.71,;82.61,-11.49,;83.95,-10.73,;83.96,-9.19,;82.63,-8.4,;81.31,-6.09,;82.64,-6.87,;83.98,-6.1,;85.38,-6.74,;86.41,-5.6,;85.65,-4.26,;85.82,-2.73,;84.41,-2.09,;83.32,-1,;84.81,-.59,;83.38,-3.24,;84.14,-4.57,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubat... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00444
BindingDB Entry DOI: 10.7270/Q2M04947 |
More data for this
Ligand-Target Pair | |
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