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BDBM50208833 8-(2-((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl)ethynyl)-2-phenyl-4H-chromen-4-one::CHEMBL250519

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#Cc1cccc2c1oc(cc2=O)-c1ccccc1

InChI Key: InChIKey=WZEMDLKZTPOYPH-CGNCVNRMSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50208833   
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
Estrogen receptor


(Homo sapiens (Human))		BDBM50208833
PNG
(8-(2-((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#Cc1cccc2c1oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C35H32O4/c1-34-17-15-27-26-13-11-25(36)20-24(26)10-12-28(27)30(34)16-19-35(34,38)18-14-23-8-5-9-29-31(37)21-32(39-33(23)29)22-6-3-2-4-7-22/h2-9,11,13,20-21,27-28,30,36,38H,10,12,15-17,19H2,1H3/t27-,28-,30+,34+,35+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 100n/an/an/an/an/an/an/an/a



Université de Sherbrooke

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha

Bioorg Med Chem Lett 17: 3212-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.016
BindingDB Entry DOI: 10.7270/Q28P606Z
More data for this
Ligand-Target Pair