Found 3 hits in this display Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Renin
(Homo sapiens (Human)) | BDBM17996
(1,4-benzoxazin-3-one, 33 | N-{2-[(2S)-6-(2,4-diami...)Show SMILES CCc1nc(N)nc(N)c1-c1ccc2O[C@](C)(C(=O)N(CCNC(C)=O)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N6O3/c1-4-18-21(22(26)30-24(27)29-18)16-10-11-20-19(14-16)31(13-12-28-15(2)32)23(33)25(3,34-20)17-8-6-5-7-9-17/h5-11,14H,4,12-13H2,1-3H3,(H,28,32)(H4,26,27,29,30)/t25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine... |
Bioorg Med Chem 15: 5912-49 (2007)
Article DOI: 10.1016/j.bmc.2007.05.069 BindingDB Entry DOI: 10.7270/Q2FX77QX |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM17996
(1,4-benzoxazin-3-one, 33 | N-{2-[(2S)-6-(2,4-diami...)Show SMILES CCc1nc(N)nc(N)c1-c1ccc2O[C@](C)(C(=O)N(CCNC(C)=O)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N6O3/c1-4-18-21(22(26)30-24(27)29-18)16-10-11-20-19(14-16)31(13-12-28-15(2)32)23(33)25(3,34-20)17-8-6-5-7-9-17/h5-11,14H,4,12-13H2,1-3H3,(H,28,32)(H4,26,27,29,30)/t25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals Corp
Curated by ChEMBL
| Assay Description Inhibition of human recombinant renin in buffer |
J Med Chem 53: 7490-520 (2010)
Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM17996
(1,4-benzoxazin-3-one, 33 | N-{2-[(2S)-6-(2,4-diami...)Show SMILES CCc1nc(N)nc(N)c1-c1ccc2O[C@](C)(C(=O)N(CCNC(C)=O)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H28N6O3/c1-4-18-21(22(26)30-24(27)29-18)16-10-11-20-19(14-16)31(13-12-28-15(2)32)23(33)25(3,34-20)17-8-6-5-7-9-17/h5-11,14H,4,12-13H2,1-3H3,(H,28,32)(H4,26,27,29,30)/t25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals Corp
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
J Med Chem 53: 7490-520 (2010)
Article DOI: 10.1021/jm901885s BindingDB Entry DOI: 10.7270/Q2S75GKG |
More data for this Ligand-Target Pair | |