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BDBM50073060 (9R,10S,11S,13S,17S)-9-Fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one::CHEMBL302870

SMILES: C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C

InChI Key: InChIKey=YLRFCQOZQXIBAB-UKPFUUFUSA-N

Data: 1 KI  1 IC50  1 EC50

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 3 hits for monomerid = 50073060   
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))
BDBM50073060
PNG
((9R,10S,11S,13S,17S)-9-Fluoro-11,17-dihydroxy-10,1...)
Show SMILES C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |t:9|
Show InChI InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14?,15?,16-,17-,18-,19-,20-/m0/s1
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PubMed
4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Androgen receptor expressed in COS-1 cells


J Med Chem 42: 210-2 (1999)


Article DOI: 10.1021/jm9806648
BindingDB Entry DOI: 10.7270/Q2F76D8W
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50073060
PNG
((9R,10S,11S,13S,17S)-9-Fluoro-11,17-dihydroxy-10,1...)
Show SMILES C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |t:9|
Show InChI InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14?,15?,16-,17-,18-,19-,20-/m0/s1
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Article
PubMed
n/an/a 0n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity against Human Androgen receptor expressed in CV-1 cells


J Med Chem 42: 210-2 (1999)


Article DOI: 10.1021/jm9806648
BindingDB Entry DOI: 10.7270/Q2F76D8W
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50073060
PNG
((9R,10S,11S,13S,17S)-9-Fluoro-11,17-dihydroxy-10,1...)
Show SMILES C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |t:9|
Show InChI InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14?,15?,16-,17-,18-,19-,20-/m0/s1
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

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



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor


J Med Chem 42: 210-2 (1999)


Article DOI: 10.1021/jm9806648
BindingDB Entry DOI: 10.7270/Q2F76D8W
More data for this
Ligand-Target Pair