BDBM50046798 2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-thiazol-4-yl-ethyl]-3-(4-methyl-piperazine-1-sulfonyl)-propionamide::2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-thiazol-4-yl-ethyl]-3-(4-methyl-piperazine-1-sulfonyl)-propionamide (Zankiren (A-72517))::A-72517::CHEMBL113841::zankiren
SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1
InChI Key: InChIKey=YFDSDRDMDDGDFC-HOQQKOLYSA-N
Data: 7 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)) | BDBM50046798 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.240 | 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)) | BDBM50046798 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 110 | 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 (Homo sapiens (Human)) | BDBM50046798 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.200 | 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 | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50046798 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd. Curated by ChEMBL | Assay Description Inhibition of human recombinant rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay | J Med Chem 52: 3689-702 (2009) Article DOI: 10.1021/jm900022f BindingDB Entry DOI: 10.7270/Q2PC3391 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50046798 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.200 | 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 | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50046798 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Inhibition activity against human plasma renin at pH=7.4. | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Rattus norvegicus) | BDBM50046798 (2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.40E+3 | 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 |