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BDBM50142651 CHEMBL300022::N-Hexyl-2-[(S)-4-methyl-2,5-dioxo-3-(3',4',5'-trimethoxy-biphenyl-4-ylmethyl)-piperazin-1-yl]-acetamide

SMILES: CCCCCCNC(=O)CN1CC(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O

InChI Key: InChIKey=ADCUKPKZQVDLCL-QHCPKHFHSA-N

Data: 2 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50142651   
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
Follicle stimulating hormone receptor


(Homo sapiens (Human))
BDBM50142651
PNG
(CHEMBL300022 | N-Hexyl-2-[(S)-4-methyl-2,5-dioxo-3...)
Show SMILES CCCCCCNC(=O)CN1CC(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C29H39N3O6/c1-6-7-8-9-14-30-26(33)18-32-19-27(34)31(2)23(29(32)35)15-20-10-12-21(13-11-20)22-16-24(36-3)28(38-5)25(17-22)37-4/h10-13,16-17,23H,6-9,14-15,18-19H2,1-5H3,(H,30,33)/t23-/m0/s1
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Similars

Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.


Bioorg Med Chem Lett 14: 1717-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.043
BindingDB Entry DOI: 10.7270/Q2QC02XV
More data for this
Ligand-Target Pair
Follicle stimulating hormone receptor


(Homo sapiens (Human))
BDBM50142651
PNG
(CHEMBL300022 | N-Hexyl-2-[(S)-4-methyl-2,5-dioxo-3...)
Show SMILES CCCCCCNC(=O)CN1CC(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
Show InChI InChI=1S/C29H39N3O6/c1-6-7-8-9-14-30-26(33)18-32-19-27(34)31(2)23(29(32)35)15-20-10-12-21(13-11-20)22-16-24(36-3)28(38-5)25(17-22)37-4/h10-13,16-17,23H,6-9,14-15,18-19H2,1-5H3,(H,30,33)/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 3.00E+3n/an/an/an/a



Pharmacopeia, Inc

Curated by ChEMBL


Assay Description
Agonistic activity against Follicle stimulating hormone receptor expressed in chinese hamster ovary cells(CHO)


Bioorg Med Chem Lett 14: 1713-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.042
BindingDB Entry DOI: 10.7270/Q2V40TMR
More data for this
Ligand-Target Pair