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BDBM50328918 5-chloro-4-(((3R,4S)-4-(6-((3-(2-chloro-3,6-difluorophenyl)isoxazol-5-yl)methoxy)pyridin-3-yl)-N-cyclopropylpiperidine-3-carboxamido)methyl)-2-(3-methoxypropyl)pyridine 1-oxide::CHEMBL1269756

SMILES: COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)nc2)c(Cl)c[n+]1[O-]

InChI Key: InChIKey=UWLUSIMCHSRWEH-FTJBHMTQSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50328918   
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


(Homo sapiens (Human))
BDBM50328918
PNG
(5-chloro-4-(((3R,4S)-4-(6-((3-(2-chloro-3,6-difluo...)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)nc2)c(Cl)c[n+]1[O-] |r|
Show InChI InChI=1S/C34H35Cl2F2N5O5/c1-46-12-2-3-23-13-21(27(35)18-43(23)45)17-42(22-5-6-22)34(44)26-16-39-11-10-25(26)20-4-9-31(40-15-20)47-19-24-14-30(41-48-24)32-28(37)7-8-29(38)33(32)36/h4,7-9,13-15,18,22,25-26,39H,2-3,5-6,10-12,16-17,19H2,1H3/t25-,26+/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in plasma


Bioorg Med Chem Lett 20: 6291-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.087
BindingDB Entry DOI: 10.7270/Q2H70G2C
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50328918
PNG
(5-chloro-4-(((3R,4S)-4-(6-((3-(2-chloro-3,6-difluo...)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)nc2)c(Cl)c[n+]1[O-] |r|
Show InChI InChI=1S/C34H35Cl2F2N5O5/c1-46-12-2-3-23-13-21(27(35)18-43(23)45)17-42(22-5-6-22)34(44)26-16-39-11-10-25(26)20-4-9-31(40-15-20)47-19-24-14-30(41-48-24)32-28(37)7-8-29(38)33(32)36/h4,7-9,13-15,18,22,25-26,39H,2-3,5-6,10-12,16-17,19H2,1H3/t25-,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in buffer


Bioorg Med Chem Lett 20: 6291-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.087
BindingDB Entry DOI: 10.7270/Q2H70G2C
More data for this
Ligand-Target Pair