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BDBM50404236 CHEMBL28213

SMILES: CCCc1cc(sc1-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N

InChI Key: InChIKey=PAUBJWRHNISXMR-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50404236   
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))
BDBM50404236
PNG
(CHEMBL28213)
Show SMILES CCCc1cc(sc1-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Show InChI InChI=1S/C21H22N2S2/c1-2-6-14-11-16(13-22)25-19(14)15-7-8-18-17(12-15)21(20(24)23-18)9-4-3-5-10-21/h7-8,11-12H,2-6,9-10H2,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 7.70n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells


Bioorg Med Chem Lett 13: 1317-20 (2003)


BindingDB Entry DOI: 10.7270/Q2WS8SNP
More data for this
Ligand-Target Pair