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BDBM50298047 (S)-2-chloro-4-((2-methylbenzyl)(1-methylpyrrolidin-3-yl)amino)benzonitrile::CHEMBL557534

SMILES: CN1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=ZBTYEEFUASVDCN-IBGZPJMESA-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 = 50298047   
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))
BDBM50298047
PNG
((S)-2-chloro-4-((2-methylbenzyl)(1-methylpyrrolidi...)
Show SMILES CN1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClN3/c1-15-5-3-4-6-17(15)13-24(19-9-10-23(2)14-19)18-8-7-16(12-22)20(21)11-18/h3-8,11,19H,9-10,13-14H2,1-2H3/t19-/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))
BDBM50298047
PNG
((S)-2-chloro-4-((2-methylbenzyl)(1-methylpyrrolidi...)
Show SMILES CN1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClN3/c1-15-5-3-4-6-17(15)13-24(19-9-10-23(2)14-19)18-8-7-16(12-22)20(21)11-18/h3-8,11,19H,9-10,13-14H2,1-2H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 50n/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