BDBM443443 US10654866, Example 8B

SMILES: Cc1cccc-2c1O[C@H](c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12

InChI Key: InChIKey=MKEHACYTGGCYPQ-GDLZYMKVSA-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 = 443443   

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))	US11117902, Example 8B (US10654866, Example 8B) Show SMILES Cc1cccc-2c1O[C@H](c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12 |r| Show InChI InChI=1S/C29H27FN2O3/c1-18-3-2-4-23-25-15-31-26-13-21(33)7-10-24(26)27(25)29(35-28(18)23)20-5-8-22(9-6-20)34-12-11-32-16-19(14-30)17-32/h2-10,13,15,19,29,33H,11-12,14,16-17H2,1H3/t29-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.940	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 (Homo sapiens (Human))	BDBM443443 (US10654866, Example 8B) Show SMILES Cc1cccc-2c1O[C@H](c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12 |r| Show InChI InChI=1S/C29H27FN2O3/c1-18-3-2-4-23-25-15-31-26-13-21(33)7-10-24(26)27(25)29(35-28(18)23)20-5-8-22(9-6-20)34-12-11-32-16-19(14-30)17-32/h2-10,13,15,19,29,33H,11-12,14,16-17H2,1H3/t29-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.940	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))	US11117902, Example 8B (US10654866, Example 8B) Show SMILES Cc1cccc-2c1O[C@H](c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12 |r| Show InChI InChI=1S/C29H27FN2O3/c1-18-3-2-4-23-25-15-31-26-13-21(33)7-10-24(26)27(25)29(35-28(18)23)20-5-8-22(9-6-20)34-12-11-32-16-19(14-30)17-32/h2-10,13,15,19,29,33H,11-12,14,16-17H2,1H3/t29-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		5.44	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))	BDBM443443 (US10654866, Example 8B) Show SMILES Cc1cccc-2c1O[C@H](c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12 |r| Show InChI InChI=1S/C29H27FN2O3/c1-18-3-2-4-23-25-15-31-26-13-21(33)7-10-24(26)27(25)29(35-28(18)23)20-5-8-22(9-6-20)34-12-11-32-16-19(14-30)17-32/h2-10,13,15,19,29,33H,11-12,14,16-17H2,1H3/t29-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.44	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