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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50375428'   
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))
BDBM50375428
PNG
(CHEMBL411063)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1ncccn1 |c:14,t:7|
Show InChI InChI=1S/C33H36N2O2/c1-19-16-28-26-12-10-23-17-24(36)11-13-25(23)29(26)27(18-33(28,2)30(19)31(37)21-6-7-21)20-4-8-22(9-5-20)32-34-14-3-15-35-32/h3-5,8-9,14-15,17,19,21,26-28,30H,6-7,10-13,16,18H2,1-2H3/t19-,26+,27-,28+,30-,33+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.25n/an/an/an/an/an/a



NV Organon

Curated by ChEMBL


Assay Description
Antagonist activity at human PRB expressed in CHO cells assessed as inhibition of Org 2058 induced-transactivation


Bioorg Med Chem 16: 2753-63 (2008)


Article DOI: 10.1016/j.bmc.2008.01.010
BindingDB Entry DOI: 10.7270/Q2Z89D9G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375428
PNG
(CHEMBL411063)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1ncccn1 |c:14,t:7|
Show InChI InChI=1S/C33H36N2O2/c1-19-16-28-26-12-10-23-17-24(36)11-13-25(23)29(26)27(18-33(28,2)30(19)31(37)21-6-7-21)20-4-8-22(9-5-20)32-34-14-3-15-35-32/h3-5,8-9,14-15,17,19,21,26-28,30H,6-7,10-13,16,18H2,1-2H3/t19-,26+,27-,28+,30-,33+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.54n/an/an/an/a



NV Organon

Curated by ChEMBL


Assay Description
Agonist activity at human PRB expressed in CHO cells


Bioorg Med Chem 16: 2753-63 (2008)


Article DOI: 10.1016/j.bmc.2008.01.010
BindingDB Entry DOI: 10.7270/Q2Z89D9G
More data for this
Ligand-Target Pair