BDBM50016934 CHEBI:82520::ESTRADIOL MUSTARD

SMILES [H][C@@]12CC[C@H](OC(=O)Cc3ccc(cc3)N(CCCl)CCCl)[C@@]1(C)CC[C@]1([H])c3ccc(OC(=O)Cc4ccc(cc4)N(CCCl)CCCl)cc3CC[C@@]21[H]

InChI Key InChIKey=LRSFXIJGHRPOQQ-VZRQQIPSSA-N

Data  1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016934   

TargetEstrogen receptor(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50016934(CHEBI:82520 | ESTRADIOL MUSTARD)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)Cc5ccc(cc5)N(CCCl)CCCl)ccc34)[C@@H]1CC[C@@H]2OC(=O)Cc1ccc(cc1)N(CCCl)CCCl
Show InChI InChI=1S/C42H50Cl4N2O4/c1-42-17-16-36-35-13-11-34(51-40(49)26-29-2-7-32(8-3-29)47(22-18-43)23-19-44)28-31(35)6-12-37(36)38(42)14-15-39(42)52-41(50)27-30-4-9-33(10-5-30)48(24-20-45)25-21-46/h2-5,7-11,13,28,36-39H,6,12,14-27H2,1H3/t36-,37-,38+,39+,42+/m1/s1
Affinity DataKd:  3.00E+3nMAssay Description:Displacement of radiolabeled estradiol from estradiol receptor in rat uterine cytosolMore data for this Ligand-Target Pair