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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50049492'   
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))
BDBM50049492
PNG
(5-Bromo-4-methoxy-2-[(E)-3-(4,6,6-trimethyl-2-meth...)
Show SMILES COc1cc(\C=C\CC2C(=C)C=C(C)CC2(C)C)c(O)cc1Br |t:11|
Show InChI InChI=1S/C20H25BrO2/c1-13-9-14(2)16(20(3,4)12-13)8-6-7-15-10-19(23-5)17(21)11-18(15)22/h6-7,9-11,16,22H,2,8,12H2,1,3-5H3/b7-6+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
84n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity determined for human Progesterone receptor A isoform


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50049492
PNG
(5-Bromo-4-methoxy-2-[(E)-3-(4,6,6-trimethyl-2-meth...)
Show SMILES COc1cc(\C=C\CC2C(=C)C=C(C)CC2(C)C)c(O)cc1Br |t:11|
Show InChI InChI=1S/C20H25BrO2/c1-13-9-14(2)16(20(3,4)12-13)8-6-7-15-10-19(23-5)17(21)11-18(15)22/h6-7,9-11,16,22H,2,8,12H2,1,3-5H3/b7-6+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic potency to the human progesterone receptor measured in the T-47D alkaline phosphatase assay


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50049492
PNG
(5-Bromo-4-methoxy-2-[(E)-3-(4,6,6-trimethyl-2-meth...)
Show SMILES COc1cc(\C=C\CC2C(=C)C=C(C)CC2(C)C)c(O)cc1Br |t:11|
Show InChI InChI=1S/C20H25BrO2/c1-13-9-14(2)16(20(3,4)12-13)8-6-7-15-10-19(23-5)17(21)11-18(15)22/h6-7,9-11,16,22H,2,8,12H2,1,3-5H3/b7-6+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.30E+3n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against human Progesterone receptor B isoform expressed in CV-1 cells


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair