Found 4 hits for monomerid = 50199696 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 |
|---|
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50199696
(CHEMBL3941513)Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C32H33Cl2N7O3/c1-2-41-31(43)28(37-32(44)38-29-25(33)19-35-20-26(29)34)18-27(39-41)23-10-6-8-21(16-23)22-9-7-11-24(17-22)30(42)36-12-15-40-13-4-3-5-14-40/h6-11,16-20H,2-5,12-15H2,1H3,(H,36,42)(H2,35,37,38,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2a receptor (unknown origin) |
J Med Chem 59: 10479-10497 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50199696
(CHEMBL3941513)Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C32H33Cl2N7O3/c1-2-41-31(43)28(37-32(44)38-29-25(33)19-35-20-26(29)34)18-27(39-41)23-10-6-8-21(16-23)22-9-7-11-24(17-22)30(42)36-12-15-40-13-4-3-5-14-40/h6-11,16-20H,2-5,12-15H2,1H3,(H,36,42)(H2,35,37,38,44) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A1 receptor (unknown origin) |
J Med Chem 59: 10479-10497 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50199696
(CHEMBL3941513)Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C32H33Cl2N7O3/c1-2-41-31(43)28(37-32(44)38-29-25(33)19-35-20-26(29)34)18-27(39-41)23-10-6-8-21(16-23)22-9-7-11-24(17-22)30(42)36-12-15-40-13-4-3-5-14-40/h6-11,16-20H,2-5,12-15H2,1H3,(H,36,42)(H2,35,37,38,44) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 169 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Antagonist activity at adenosine A2b receptor (unknown origin) |
J Med Chem 59: 10479-10497 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50199696
(CHEMBL3941513)Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C32H33Cl2N7O3/c1-2-41-31(43)28(37-32(44)38-29-25(33)19-35-20-26(29)34)18-27(39-41)23-10-6-8-21(16-23)22-9-7-11-24(17-22)30(42)36-12-15-40-13-4-3-5-14-40/h6-11,16-20H,2-5,12-15H2,1H3,(H,36,42)(H2,35,37,38,44) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 assessed as reduction in [3H]cAMP hydrolysis to [3H]AMP incubated for 60 mins by PDE-SPA assay |
J Med Chem 59: 10479-10497 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75 |
More data for this
Ligand-Target Pair | |
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