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BDBM310359 (3R,5S)—N-(4-(4,6-dimethoxy-5-pyrimidinyl)-5-((2R)-1,4-dioxan-2-yl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-5-(1-methylethoxy)-3-piperidinesulfonamide or (3R,5S)—N-(4-(4,6-dimethoxy-5-pyrimidinyl)-5-((2S)-1,4-dioxan-2-yl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-5-(1-methylethoxy)-3-piperidinesulfonamide::US10150760, Example 179.0::US10150760, Example 180.0

SMILES: COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H]2C[C@@H](CN(C2)c2ncc(F)cn2)OC(C)C)nnc1[C@@H]1COCCO1

InChI Key: InChIKey=FJJPEMOTKSRQSO-FFRIMDHNNA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 310359   
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
Apelin receptor


(Homo sapiens (Human))
BDBM310359
PNG
((3R,5S)—N-(4-(4,6-dimethoxy-5-pyrimidinyl)-5-...)
Show SMILES COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H]2C[C@@H](CN(C2)c2ncc(F)cn2)OC(C)C)nnc1[C@@H]1COCCO1
Show InChI InChI=1/C24H32FN9O7S/c1-14(2)41-16-7-17(11-33(10-16)23-26-8-15(25)9-27-23)42(35,36)32-24-31-30-20(18-12-39-5-6-40-18)34(24)19-21(37-3)28-13-29-22(19)38-4/h8-9,13-14,16-18H,5-7,10-12H2,1-4H3,(H,31,32)/t16-,17+,18-/s2
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 240n/an/an/an/a



Amgen Inc

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig...


US Patent US10150760 (2018)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2MS3VVT
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM310359
PNG
((3R,5S)—N-(4-(4,6-dimethoxy-5-pyrimidinyl)-5-...)
Show SMILES COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H]2C[C@@H](CN(C2)c2ncc(F)cn2)OC(C)C)nnc1[C@@H]1COCCO1
Show InChI InChI=1/C24H32FN9O7S/c1-14(2)41-16-7-17(11-33(10-16)23-26-8-15(25)9-27-23)42(35,36)32-24-31-30-20(18-12-39-5-6-40-18)34(24)19-21(37-3)28-13-29-22(19)38-4/h8-9,13-14,16-18H,5-7,10-12H2,1-4H3,(H,31,32)/t16-,17+,18-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 710n/an/an/an/a



Amgen Inc

US Patent


Assay Description
The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig...


US Patent US10150760 (2018)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2MS3VVT
More data for this
Ligand-Target Pair