Found 4 hits for monomerid = 50199694 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 A1
(Homo sapiens (Human)) | BDBM50199694
(CHEMBL3945895)Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CC1)C(=O)NCC[C@H]1CCCN1C |r| Show InChI InChI=1S/C36H38Cl2N8O4/c1-3-46-35(49)31(42-36(50)43-32-28(37)19-39-20-29(32)38)18-30(44-46)22-7-4-6-21(14-22)23-15-24(17-25(16-23)34(48)41-26-9-10-26)33(47)40-12-11-27-8-5-13-45(27)2/h4,6-7,14-20,26-27H,3,5,8-13H2,1-2H3,(H,40,47)(H,41,48)(H2,39,42,43,50)/t27-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 399 | 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 A2a
(Homo sapiens (Human)) | BDBM50199694
(CHEMBL3945895)Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CC1)C(=O)NCC[C@H]1CCCN1C |r| Show InChI InChI=1S/C36H38Cl2N8O4/c1-3-46-35(49)31(42-36(50)43-32-28(37)19-39-20-29(32)38)18-30(44-46)22-7-4-6-21(14-22)23-15-24(17-25(16-23)34(48)41-26-9-10-26)33(47)40-12-11-27-8-5-13-45(27)2/h4,6-7,14-20,26-27H,3,5,8-13H2,1-2H3,(H,40,47)(H,41,48)(H2,39,42,43,50)/t27-/m1/s1 | 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 | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50199694
(CHEMBL3945895)Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CC1)C(=O)NCC[C@H]1CCCN1C |r| Show InChI InChI=1S/C36H38Cl2N8O4/c1-3-46-35(49)31(42-36(50)43-32-28(37)19-39-20-29(32)38)18-30(44-46)22-7-4-6-21(14-22)23-15-24(17-25(16-23)34(48)41-26-9-10-26)33(47)40-12-11-27-8-5-13-45(27)2/h4,6-7,14-20,26-27H,3,5,8-13H2,1-2H3,(H,40,47)(H,41,48)(H2,39,42,43,50)/t27-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 146 | 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)) | BDBM50199694
(CHEMBL3945895)Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CC1)C(=O)NCC[C@H]1CCCN1C |r| Show InChI InChI=1S/C36H38Cl2N8O4/c1-3-46-35(49)31(42-36(50)43-32-28(37)19-39-20-29(32)38)18-30(44-46)22-7-4-6-21(14-22)23-15-24(17-25(16-23)34(48)41-26-9-10-26)33(47)40-12-11-27-8-5-13-45(27)2/h4,6-7,14-20,26-27H,3,5,8-13H2,1-2H3,(H,40,47)(H,41,48)(H2,39,42,43,50)/t27-/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0500 | 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 | |