BindingDB logo
myBDB logout

BDBM50006105 1-Ethynyl-8-methanesulfonyl-11a,13a-dimethyl-2,3,3a,3b,4,5,5a,6,11,11a,11b,12,13,13a-tetradecahydro-1H-7,9-diaza-indeno[5,4-a]anthracen-1-ol::CHEMBL45268

SMILES: C[C@]12CCC3C(CC[C@H]4Cc5nc(ncc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C

InChI Key: InChIKey=FVNGPIXFMVMONU-NVTVTSBWSA-N

Data: 1 KI

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 1 hit for monomerid = 50006105   
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


(Rattus norvegicus (Rat))		BDBM50006105
PNG
(1-Ethynyl-8-methanesulfonyl-11a,13a-dimethyl-2,3,3...)
Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5nc(ncc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C
Show InChI InChI=1S/C24H32N2O3S/c1-5-24(27)11-9-19-17-7-6-16-12-20-15(14-25-21(26-20)30(4,28)29)13-22(16,2)18(17)8-10-23(19,24)3/h1,14,16-19,27H,6-13H2,2-4H3/t16-,17?,18?,19?,22-,23-,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 3.00E+3n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881

J Med Chem 35: 1663-70 (1992)


BindingDB Entry DOI: 10.7270/Q2JH3MSN
More data for this
Ligand-Target Pair