BDBM50309559 CHEMBL606169

SMILES [#6]-[#6]-[#7]-c1cc2-[#6]-[#6](-[#6]-[#6]=[#7]-[#6]-[#6])=[#6](\[#6]=[#6](/[#6])-[#6])-[#6](-c2cc1-[#6])-c1ccccc1-[#6](=O)-[#8]-c1ccc2-[#6@H]-3-[#6]-[#6][C@@]4([#6])[#6@@H](-[#6]-[#6][C@@]4([#8])c4cn(-[#6]-[#6@H]-5-[#8]-[#6@@H]-6-[#8]-[#6@@H]-7-[#6@@H](-[#6]-n8cc(nn8)[C@]8([#8])[#6]-[#6]-[#6@H]9-[#6@@H]-%10-[#6]-[#6]-c%11cc(-[#8]-[#6](=O)-c%12ccccc%12-[#6]-%12-c%13cc(-[#6])c(-[#7]-[#6]-[#6])cc%13-[#6]-c%13cc(-[#7]-[#6]-[#6])c(-[#6])cc-%12%13)ccc%11-[#6@H]-%10-[#6]-[#6][C@]89[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-8-[#6@@H](-[#6]-n9cc(nn9)[C@]9([#8])[#6]-[#6]-[#6@H]%10-[#6@@H]-%11-[#6]-[#6]-c%12cc(-[#8]-[#6](=O)-c%13ccccc%13-[#6]-%13-c%14cc(-[#6])c(-[#7]-[#6]-[#6])cc%14-[#6]-c%14cc(-[#7]-[#6]-[#6])c(-[#6])cc-%13%14)ccc%12-[#6@H]-%11-[#6]-[#6][C@]9%10[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-9-[#6@@H](-[#6]-n%10cc(nn%10)[C@]%10([#8])[#6]-[#6]-[#6@H]%11-[#6@@H]-%12-[#6]-[#6]-c%13cc(-[#8]-[#6](=O)-c%14ccccc%14-[#6]-%14-c%15cc(-[#6])c(-[#7]-[#6]-[#6])cc%15-[#6]-c%15cc(-[#7]-[#6]-[#6])c(-[#6])cc-%14%15)ccc%13-[#6@H]-%12-[#6]-[#6][C@]%10%11[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-%10-[#6@@H](-[#6]-n%11cc(nn%11)[C@]%11([#8])[#6]-[#6]-[#6@H]%12-[#6@@H]-%13-[#6]-[#6]-c%14cc(-[#8]-[#6](=O)-c%15ccccc%15-[#6]-%15-c%16cc(-[#6])c(-[#7]-[#6]-[#6])cc%16-[#6]-c%16cc(-[#7]-[#6]-[#6])c(-[#6])cc-%15%16)ccc%14-[#6@H]-%13-[#6]-[#6][C@]%11%12[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-%11-[#6@@H](-[#6]-[#6]-n%12cc(nn%12)[C@]%12([#8])[#6]-[#6]-[#6@H]%13-[#6@@H]-%14-[#6]-[#6]-c%15cc(-[#8]-[#6](=O)-c%16ccccc%16-[#6]-%16-c%17cc(-[#6])c(-[#7]-[#6]-[#6])cc%17-[#6]-c%17cc(-[#7]-[#6]-[#6])c(-[#6])cc-%16%17)ccc%15-[#6@H]-%14-[#6]-[#6][C@]%12%13[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-%12-[#6@@H](-[#6]-n%13cc(nn%13)[C@]%13([#8])[#6]-[#6]-[#6@H]%14-[#6@@H]-%15-[#6]-[#6]-c%16cc(-[#8]-[#6](=O)-c%17ccccc%17-[#6]-%17-c%18cc(-[#6])c(-[#7]-[#6]-[#6])cc%18-[#6]-c%18cc(-[#7]-[#6]-[#6])c(-[#6])cc-%17%18)ccc%16-[#6@H]-%15-[#6]-[#6][C@]%13%14[#6])-[#8]-[#6@H](-[#8]-[#6@H]-5-[#6@H](-[#8])-[#6@H]-6-[#8])-[#6@H](-[#8])-[#6@H]-%12-[#8])-[#6@H](-[#8])-[#6@H]-%11-[#8])-[#6@H](-[#8])-[#6@H]-%10-[#8])-[#6@H](-[#8])-[#6@H]-9-[#8])-[#6@H](-[#8])-[#6@H]-8-[#8])-[#6@H](-[#8])-[#6@H]-7-[#8])nn4)-[#6@@H]-3-[#6]-[#6]-c2c1

InChI Key InChIKey=XSHBFWXZWTTZDG-VCHALKGUSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309559   

TargetEstrogen receptor(Homo sapiens (Human))
University Of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50309559(CHEMBL606169)
Affinity DataEC50:  2.60E+3nMAssay Description:Estrogenic activity at ERalpha in human Ishikawa cells assessed as stimulation of alkaline phosphatase activity after 4 days by microplate scanning s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed