BDBM129643 US8815934, No. 127

SMILES: Cc1c(-c2cccc(O)c2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12

InChI Key: InChIKey=GRNXCSPNKRKBIG-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 129643   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM129643 (US8815934, No. 127) Show SMILES Cc1c(-c2cccc(O)c2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12 Show InChI InChI=1S/C29H32N2O3/c1-21-27-19-25(33)10-13-28(27)31(29(21)23-6-5-7-24(32)18-23)20-22-8-11-26(12-9-22)34-17-16-30-14-3-2-4-15-30/h5-13,18-19,32-33H,2-4,14-17,20H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	4
Wyeth LLC US Patent					Assay Description The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point ...				US Patent US8815934 (2014) BindingDB Entry DOI: 10.7270/Q2PZ57H0
					More data for this Ligand-Target Pair