BindingDB logo
myBDB logout

BDBM50295639 (1R,3S,3aR,3bS,10R)-10-(4-Dimethylamino-phenyl)-1-hydroxy-1-isopropenyl-12a-methyl-2,3,3a,3b,4,5,9,10,12,12a-decahydro-1H,8H-11-oxa-naphtho[2,1-e]azulen-7-one::CHEMBL561460

SMILES: CN(C)c1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=C)[C@@H]2CCC3=CC(=O)CCC3=C12

InChI Key: InChIKey=HDCJFWTUMAKTNA-DCJUPOQYSA-N

Data: 2 IC50

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 = 50295639   
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))
BDBM50295639
PNG
((1R,3S,3aR,3bS,10R)-10-(4-Dimethylamino-phenyl)-1-...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:27,34|
Show InChI InChI=1S/C29H37NO3/c1-18(2)29(32)15-14-25-24-12-8-20-16-22(31)11-13-23(20)26(24)27(33-17-28(25,29)3)19-6-9-21(10-7-19)30(4)5/h6-7,9-10,16,24-25,27,32H,1,8,11-15,17H2,2-5H3/t24-,25-,27+,28-,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity


Bioorg Med Chem Lett 19: 3977-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.095
BindingDB Entry DOI: 10.7270/Q29Z95VR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50295639
PNG
((1R,3S,3aR,3bS,10R)-10-(4-Dimethylamino-phenyl)-1-...)
Show SMILES CN(C)c1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:27,34|
Show InChI InChI=1S/C29H37NO3/c1-18(2)29(32)15-14-25-24-12-8-20-16-22(31)11-13-23(20)26(24)27(33-17-28(25,29)3)19-6-9-21(10-7-19)30(4)5/h6-7,9-10,16,24-25,27,32H,1,8,11-15,17H2,2-5H3/t24-,25-,27+,28-,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of corticoid-induced transcription after 16 hrs by glucocor...


Bioorg Med Chem Lett 19: 3977-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.095
BindingDB Entry DOI: 10.7270/Q29Z95VR
More data for this
Ligand-Target Pair