Found 4 hits for monomerid = 50199693 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)) | BDBM50199693
(CHEMBL3948448)Show SMILES CCOc1cc(cc(c1)-c1cccc(c1)-c1cc(NC(=O)Nc2c(Cl)cncc2Cl)c(=O)n(CC)n1)C(=O)NC1CC1 Show InChI InChI=1S/C30H28Cl2N6O4/c1-3-38-29(40)26(35-30(41)36-27-23(31)15-33-16-24(27)32)14-25(37-38)18-7-5-6-17(10-18)19-11-20(13-22(12-19)42-4-2)28(39)34-21-8-9-21/h5-7,10-16,21H,3-4,8-9H2,1-2H3,(H,34,39)(H2,33,35,36,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | 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 | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50199693
(CHEMBL3948448)Show SMILES CCOc1cc(cc(c1)-c1cccc(c1)-c1cc(NC(=O)Nc2c(Cl)cncc2Cl)c(=O)n(CC)n1)C(=O)NC1CC1 Show InChI InChI=1S/C30H28Cl2N6O4/c1-3-38-29(40)26(35-30(41)36-27-23(31)15-33-16-24(27)32)14-25(37-38)18-7-5-6-17(10-18)19-11-20(13-22(12-19)42-4-2)28(39)34-21-8-9-21/h5-7,10-16,21H,3-4,8-9H2,1-2H3,(H,34,39)(H2,33,35,36,41) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.310 | 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 | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50199693
(CHEMBL3948448)Show SMILES CCOc1cc(cc(c1)-c1cccc(c1)-c1cc(NC(=O)Nc2c(Cl)cncc2Cl)c(=O)n(CC)n1)C(=O)NC1CC1 Show InChI InChI=1S/C30H28Cl2N6O4/c1-3-38-29(40)26(35-30(41)36-27-23(31)15-33-16-24(27)32)14-25(37-38)18-7-5-6-17(10-18)19-11-20(13-22(12-19)42-4-2)28(39)34-21-8-9-21/h5-7,10-16,21H,3-4,8-9H2,1-2H3,(H,34,39)(H2,33,35,36,41) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | 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 | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50199693
(CHEMBL3948448)Show SMILES CCOc1cc(cc(c1)-c1cccc(c1)-c1cc(NC(=O)Nc2c(Cl)cncc2Cl)c(=O)n(CC)n1)C(=O)NC1CC1 Show InChI InChI=1S/C30H28Cl2N6O4/c1-3-38-29(40)26(35-30(41)36-27-23(31)15-33-16-24(27)32)14-25(37-38)18-7-5-6-17(10-18)19-11-20(13-22(12-19)42-4-2)28(39)34-21-8-9-21/h5-7,10-16,21H,3-4,8-9H2,1-2H3,(H,34,39)(H2,33,35,36,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | 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 | |
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