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BDBM142635 US8937058, 3A

SMILES: CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12

InChI Key: InChIKey=KAUYWBKESXHYHY-BUDYZGGTSA-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 = 142635   
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
Androgen receptor


(Homo sapiens (Human))
BDBM142635
PNG
(US8937058, 3A)
Show SMILES CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:25,t:4|
Show InChI InChI=1S/C23H30O3/c1-3-14-12-15-13-16(24)4-5-17(15)18-6-9-22(2)19(21(14)18)7-10-23(22)11-8-20(25)26-23/h8,11,13-14,17-19,21H,3-7,9-10,12H2,1-2H3/t14-,17+,18-,19+,21-,22+,23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 89n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...


US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM142635
PNG
(US8937058, 3A)
Show SMILES CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:25,t:4|
Show InChI InChI=1S/C23H30O3/c1-3-14-12-15-13-16(24)4-5-17(15)18-6-9-22(2)19(21(14)18)7-10-23(22)11-8-20(25)26-23/h8,11,13-14,17-19,21H,3-7,9-10,12H2,1-2H3/t14-,17+,18-,19+,21-,22+,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...


US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair