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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50062741'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Progesterone receptor


(Homo sapiens (Human))
BDBM50062741
PNG
(CHEMBL3397781)
Show SMILES CN(C(C)=O)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:8:11:14:18.16.17,20:17:14.15.28:12,THB:19:17:14:28.11.12,19:11:14:18.16.17,20:17:14:28.11.12,16:15:12:18.17.19,16:17:14.15.28:12|
Show InChI InChI=1S/C26H28N2O/c1-18(29)28(2)24-9-7-23(8-10-24)26-14-20-11-21(15-26)13-25(12-20,17-26)22-5-3-19(16-27)4-6-22/h3-10,20-21H,11-15,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-inducted alkaline phosphatase expression after 24 hrs by plate r...


Bioorg Med Chem 23: 803-9 (2015)


Article DOI: 10.1016/j.bmc.2014.12.047
BindingDB Entry DOI: 10.7270/Q2XG9SS2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062741
PNG
(CHEMBL3397781)
Show SMILES CN(C(C)=O)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:8:11:14:18.16.17,20:17:14.15.28:12,THB:19:17:14:28.11.12,19:11:14:18.16.17,20:17:14:28.11.12,16:15:12:18.17.19,16:17:14.15.28:12|
Show InChI InChI=1S/C26H28N2O/c1-18(29)28(2)24-9-7-23(8-10-24)26-14-20-11-21(15-26)13-25(12-20,17-26)22-5-3-19(16-27)4-6-22/h3-10,20-21H,11-15,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]progesterone from human recombinant PR LBD after 24 hrs by liquid scintillation counting analysis


Bioorg Med Chem 23: 803-9 (2015)


Article DOI: 10.1016/j.bmc.2014.12.047
BindingDB Entry DOI: 10.7270/Q2XG9SS2
More data for this
Ligand-Target Pair