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BDBM50298030 (S)-2-chloro-4-((2-chlorobenzyl)(1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl)amino)benzonitrile::CHEMBL563609

SMILES: FC(F)(F)CCN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=LENLWAUYDUESCL-SFHVURJKSA-N

Data: 1 IC50  1 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 = 50298030   
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50298030
PNG
((S)-2-chloro-4-((2-chlorobenzyl)(1-(3,3,3-trifluor...)
Show SMILES FC(F)(F)CCN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H20Cl2F3N3/c22-19-4-2-1-3-16(19)13-29(17-6-5-15(12-27)20(23)11-17)18-7-9-28(14-18)10-8-21(24,25)26/h1-6,11,18H,7-10,13-14H2/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at PR expressed in african green monkey CV-1 cells by luciferase reporter assay


Bioorg Med Chem Lett 19: 4777-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298030
PNG
((S)-2-chloro-4-((2-chlorobenzyl)(1-(3,3,3-trifluor...)
Show SMILES FC(F)(F)CCN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C21H20Cl2F3N3/c22-19-4-2-1-3-16(19)13-29(17-6-5-15(12-27)20(23)11-17)18-7-9-28(14-18)10-8-21(24,25)26/h1-6,11,18H,7-10,13-14H2/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay


Bioorg Med Chem Lett 19: 4777-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG
More data for this
Ligand-Target Pair