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BDBM142647 US8937058, 14

SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1

InChI Key: InChIKey=ONJDMPZEYBMANI-ZBKBXQEDSA-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 = 142647   
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))
BDBM142647
PNG
(US8937058, 14)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:8,27|
Show InChI InChI=1S/C21H25ClO3/c1-20-9-6-13-12-4-5-17(23)19(22)15(12)3-2-14(13)16(20)7-10-21(20)11-8-18(24)25-21/h8,11-14,16H,2-7,9-10H2,1H3/t12-,13-,14-,16+,20+,21-/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 140n/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))
BDBM142647
PNG
(US8937058, 14)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:8,27|
Show InChI InChI=1S/C21H25ClO3/c1-20-9-6-13-12-4-5-17(23)19(22)15(12)3-2-14(13)16(20)7-10-21(20)11-8-18(24)25-21/h8,11-14,16H,2-7,9-10H2,1H3/t12-,13-,14-,16+,20+,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 1.20E+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