BDBM443444 US10654866, Example 4B

SMILES: Oc1ccc2c3[C@@H](Oc4c(Cl)cccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1

InChI Key: InChIKey=WPFXKSQRNMAJGV-MHZLTWQESA-N

Data: 2 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 4 hits for monomerid = 443444   

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))	BDBM443444 (US10654866, Example 4B | US11117902, Example 4A) Show SMILES Oc1ccc2c3[C@@H](Oc4c(Cl)cccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r| Show InChI InChI=1S/C28H24ClFN2O3/c29-24-3-1-2-21-23-14-31-25-12-19(33)6-9-22(25)26(23)27(35-28(21)24)18-4-7-20(8-5-18)34-11-10-32-15-17(13-30)16-32/h1-9,12,14,17,27,33H,10-11,13,15-16H2/t27-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description Run the competition binding assay in a buffer containing 50 mM HEPES, pH 7.5, 1.5 mM EDTA, 150 mM NaCl, 10% glycerol, 1 mg/mL ovalbumin, and 5 mM DTT...				US Patent US10654866 (2020)
					More data for this Ligand-Target Pair
Estrogen receptor alpha Y537S (Homo sapiens (Human))	BDBM443444 (US10654866, Example 4B | US11117902, Example 4A) Show SMILES Oc1ccc2c3[C@@H](Oc4c(Cl)cccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r| Show InChI InChI=1S/C28H24ClFN2O3/c29-24-3-1-2-21-23-14-31-25-12-19(33)6-9-22(25)26(23)27(35-28(21)24)18-4-7-20(8-5-18)34-11-10-32-15-17(13-30)16-32/h1-9,12,14,17,27,33H,10-11,13,15-16H2/t27-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description Run the competition binding assay in a buffer containing 50 mM HEPES, pH 7.5, 1.5 mM EDTA, 150 mM NaCl, 10% glycerol, 1 mg/mL ovalbumin, and 5 mM DTT...				US Patent US10654866 (2020)
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM443444 (US10654866, Example 4B | US11117902, Example 4A) Show SMILES Oc1ccc2c3[C@@H](Oc4c(Cl)cccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r| Show InChI InChI=1S/C28H24ClFN2O3/c29-24-3-1-2-21-23-14-31-25-12-19(33)6-9-22(25)26(23)27(35-28(21)24)18-4-7-20(8-5-18)34-11-10-32-15-17(13-30)16-32/h1-9,12,14,17,27,33H,10-11,13,15-16H2/t27-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		16.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor alpha Y537S (Homo sapiens (Human))	BDBM443444 (US10654866, Example 4B | US11117902, Example 4A) Show SMILES Oc1ccc2c3[C@@H](Oc4c(Cl)cccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r| Show InChI InChI=1S/C28H24ClFN2O3/c29-24-3-1-2-21-23-14-31-25-12-19(33)6-9-22(25)26(23)27(35-28(21)24)18-4-7-20(8-5-18)34-11-10-32-15-17(13-30)16-32/h1-9,12,14,17,27,33H,10-11,13,15-16H2/t27-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair