Found 4 hits for monomerid = 50370240 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 |
|---|
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50370240
(CHEMBL4171354)Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)| Show InChI InChI=1S/C24H35ClN2O2/c25-23-5-4-16(3-1-6-26-7-2-8-28)14-21(23)24(29)27-15-22-19-10-17-9-18(12-19)13-20(22)11-17/h4-5,14,17-20,22,26,28H,1-3,6-13,15H2,(H,27,29) | PDB
KEGG
GoogleScholar
AffyNet 
| 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 |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence ... |
Eur J Med Chem 151: 462-481 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50370240
(CHEMBL4171354)Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)| Show InChI InChI=1S/C24H35ClN2O2/c25-23-5-4-16(3-1-6-26-7-2-8-28)14-21(23)24(29)27-15-22-19-10-17-9-18(12-19)13-20(22)11-17/h4-5,14,17-20,22,26,28H,1-3,6-13,15H2,(H,27,29) | PDB
KEGG
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake |
Eur J Med Chem 151: 462-481 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50370240
(CHEMBL4171354)Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)| Show InChI InChI=1S/C24H35ClN2O2/c25-23-5-4-16(3-1-6-26-7-2-8-28)14-21(23)24(29)27-15-22-19-10-17-9-18(12-19)13-20(22)11-17/h4-5,14,17-20,22,26,28H,1-3,6-13,15H2,(H,27,29) | PDB
KEGG
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated f... |
Eur J Med Chem 151: 462-481 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50370240
(CHEMBL4171354)Show SMILES Cl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)| Show InChI InChI=1S/C24H35ClN2O2/c25-23-5-4-16(3-1-6-26-7-2-8-28)14-21(23)24(29)27-15-22-19-10-17-9-18(12-19)13-20(22)11-17/h4-5,14,17-20,22,26,28H,1-3,6-13,15H2,(H,27,29) | PDB
KEGG
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology (GIST)
Curated by ChEMBL
| Assay Description
Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells |
Eur J Med Chem 151: 462-481 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB |
More data for this
Ligand-Target Pair | |
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