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 (333/333 = 100%)† (Homo sapiens (Human)) | BDBM17983 (1,4-benzoxazin-3-one, 20 | N-{2-[6-(2,4-diamino-6-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 20 | 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 (crystal) | ||||||||||||
Renin (333/333 = 100%)† (Homo sapiens (Human)) | BDBM17983 (1,4-benzoxazin-3-one, 20 | N-{2-[6-(2,4-diamino-6-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL | Assay Description Inhibition of recombinant human renin | Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Renin (333/333 = 100%)† (Homo sapiens (Human)) | BDBM17983 (1,4-benzoxazin-3-one, 20 | N-{2-[6-(2,4-diamino-6-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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 (crystal) | ||||||||||||
Renin (333/333 = 100%)† (Homo sapiens (Human)) | BDBM17983 (1,4-benzoxazin-3-one, 20 | N-{2-[6-(2,4-diamino-6-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL | Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv... | Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Renin (333/333 = 100%)† (Homo sapiens (Human)) | BDBM17983 (1,4-benzoxazin-3-one, 20 | N-{2-[6-(2,4-diamino-6-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 222 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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... | Anal Biochem 360: 30-40 (2007) Article DOI: 10.1016/j.ab.2006.10.017 BindingDB Entry DOI: 10.7270/Q22N50HD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kJ/mole | -TΔS° kJ/mole | ΔH° kJ/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM17983 (1,4-benzoxazin-3-one, 20 | N-{2-[6-(2,4-diamino-6-...) | Renin (Homo sapiens (Human)) | DrugBank MMDB PC cid PC sid PDB | DrugBank GoogleScholar KEGG PDB | -40.3 | 4.43 | -44.7 | 7.00 | 7 | 28 | |
Pfizer | Anal Biochem 360: 30-40 (2007) |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kJ/mole | -TΔS° kJ/mole | ΔH° kJ/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM17983 (1,4-benzoxazin-3-one, 20 | N-{2-[6-(2,4-diamino-6-...) | Renin (Homo sapiens (Human)) | DrugBank MMDB PC cid PC sid PDB | DrugBank GoogleScholar KEGG PDB | -40.3 | 4.43 | -44.7 | 7.00 | 7 | 28 | |
Pfizer | Anal Biochem 360: 30-40 (2007) |