Found 2 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)) | BDBM50355545
(CHEMBL1910289)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2cccc(F)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H39FN2O5/c1-35-12-4-5-21-15-22(17-26(16-21)37-14-13-36-2)20-32(25-8-9-25)28(33)27-19-31-11-10-29(27,34)23-6-3-7-24(30)18-23/h3,6-7,15-18,25,27,31,34H,4-5,8-14,19-20H2,1-2H3/t27-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as Q-FRET substrate after 3 hrs by fluorescence assay |
Bioorg Med Chem Lett 21: 3976-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.014
BindingDB Entry DOI: 10.7270/Q21N81HN |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50355545
(CHEMBL1910289)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2cccc(F)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H39FN2O5/c1-35-12-4-5-21-15-22(17-26(16-21)37-14-13-36-2)20-32(25-8-9-25)28(33)27-19-31-11-10-29(27,34)23-6-3-7-24(30)18-23/h3,6-7,15-18,25,27,31,34H,4-5,8-14,19-20H2,1-2H3/t27-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 479 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as Q-FRET substrate after 1 hr by ... |
Bioorg Med Chem Lett 21: 3976-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.014
BindingDB Entry DOI: 10.7270/Q21N81HN |
More data for this
Ligand-Target Pair | |