Found 3 hits for monomerid = 50197673 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 |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50197673
(CHEMBL3922315)Show SMILES CC1(CCS(=O)(=O)CC1)[C@H]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |r| Show InChI InChI=1S/C19H23FN2O4S/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3/t15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) expressed in Escherichia coli co-expressing human NADPH reductase using both 7-benzyloxyquinolone and diethoxyf... |
J Med Chem 59: 10738-10749 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND |
More data for this Ligand-Target Pair | |
LDL-associated phospholipase A2
(Homo sapiens (Human)) | BDBM50197673
(CHEMBL3922315)Show SMILES CC1(CCS(=O)(=O)CC1)[C@H]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |r| Show InChI InChI=1S/C19H23FN2O4S/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Lp-PLA2 in whole human plasma pre-incubated for 15 mins before 2-thio-PAF substrate addition |
J Med Chem 59: 10738-10749 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
LDL-associated phospholipase A2
(Homo sapiens (Human)) | BDBM50197673
(CHEMBL3922315)Show SMILES CC1(CCS(=O)(=O)CC1)[C@H]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |r| Show InChI InChI=1S/C19H23FN2O4S/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate |
J Med Chem 59: 10738-10749 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01427 BindingDB Entry DOI: 10.7270/Q27946ND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |