BDBM50046794 2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-thiazol-4-yl-ethyl]-N*4*-methyl-N*4*-(2-pyridin-2-yl-ethyl)-succinamide::CHEMBL343968
SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCc1ccccn1)Cc1ccccc1
InChI Key: InChIKey=FTOFUXGQJCLRCU-UOXQYSJJSA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Renin (Homo sapiens (Human)) | BDBM50046794 (2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 33 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description In vitro inhibitory concentration against dog plasma renin at pH 7.4 | J Med Chem 36: 460-7 (1993) BindingDB Entry DOI: 10.7270/Q2VT1R5C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Rattus norvegicus) | BDBM50046794 (2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description In vitro inhibitory concentration against rat plasma renin at pH 7.4 | J Med Chem 36: 460-7 (1993) BindingDB Entry DOI: 10.7270/Q2VT1R5C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50046794 (2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description In vitro inhibitory concentration against monkey plasma renin at pH 7.4 | J Med Chem 36: 460-7 (1993) BindingDB Entry DOI: 10.7270/Q2VT1R5C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50046794 (2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description In vitro inhibitory concentration against human plasma renin at pH 7.4 | J Med Chem 36: 460-7 (1993) BindingDB Entry DOI: 10.7270/Q2VT1R5C | |||||||||||
More data for this Ligand-Target Pair |