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BDBM50434443 CHEMBL2387549

SMILES: CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)C(=O)Nc1cccnc1

InChI Key: InChIKey=FKOWPCQVGTZLDK-FIXSFTCYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50434443   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Renin


(Macaca fascicularis)
BDBM50434443
PNG
(CHEMBL2387549)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)C(=O)Nc1cccnc1
Show InChI InChI=1S/C27H38FN5O3/c1-17(2)21(26(36)31-20-7-6-10-30-13-20)12-24(34)22(29)14-32-15-25(35)33(16-27(32,4)5)23-11-19(28)9-8-18(23)3/h6-11,13,17,21-22,24,34H,12,14-16,29H2,1-5H3,(H,31,36)/t21-,22-,24-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 1 hr by RIA


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434443
PNG
(CHEMBL2387549)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)C(=O)Nc1cccnc1
Show InChI InChI=1S/C27H38FN5O3/c1-17(2)21(26(36)31-20-7-6-10-30-13-20)12-24(34)22(29)14-32-15-25(35)33(16-27(32,4)5)23-11-19(28)9-8-18(23)3/h6-11,13,17,21-22,24,34H,12,14-16,29H2,1-5H3,(H,31,36)/t21-,22-,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair