Found 4 hits for monomerid = 50199727 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)) | BDBM50199727
(CHEMBL3913876)Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)OC)C(=O)NCCCN(C)C Show InChI InChI=1S/C32H33Cl2N7O5/c1-5-41-30(43)27(37-32(45)38-28-24(33)17-35-18-25(28)34)16-26(39-41)20-9-6-8-19(12-20)21-13-22(15-23(14-21)31(44)46-4)29(42)36-10-7-11-40(2)3/h6,8-9,12-18H,5,7,10-11H2,1-4H3,(H,36,42)(H2,35,37,38,45) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| 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)) | BDBM50199727
(CHEMBL3913876)Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)OC)C(=O)NCCCN(C)C Show InChI InChI=1S/C32H33Cl2N7O5/c1-5-41-30(43)27(37-32(45)38-28-24(33)17-35-18-25(28)34)16-26(39-41)20-9-6-8-19(12-20)21-13-22(15-23(14-21)31(44)46-4)29(42)36-10-7-11-40(2)3/h6,8-9,12-18H,5,7,10-11H2,1-4H3,(H,36,42)(H2,35,37,38,45) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0300 | 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)) | BDBM50199727
(CHEMBL3913876)Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)OC)C(=O)NCCCN(C)C Show InChI InChI=1S/C32H33Cl2N7O5/c1-5-41-30(43)27(37-32(45)38-28-24(33)17-35-18-25(28)34)16-26(39-41)20-9-6-8-19(12-20)21-13-22(15-23(14-21)31(44)46-4)29(42)36-10-7-11-40(2)3/h6,8-9,12-18H,5,7,10-11H2,1-4H3,(H,36,42)(H2,35,37,38,45) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| 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)) | BDBM50199727
(CHEMBL3913876)Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)OC)C(=O)NCCCN(C)C Show InChI InChI=1S/C32H33Cl2N7O5/c1-5-41-30(43)27(37-32(45)38-28-24(33)17-35-18-25(28)34)16-26(39-41)20-9-6-8-19(12-20)21-13-22(15-23(14-21)31(44)46-4)29(42)36-10-7-11-40(2)3/h6,8-9,12-18H,5,7,10-11H2,1-4H3,(H,36,42)(H2,35,37,38,45) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 71 | 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 | |