BDBM443432 Racemic 5-(4-{2- [3-(fluoromethyl) azetidin-1- yl]ethoxy}phenyl)-7- (trifluoromethyl)-5H- [1]benzopyrano[4,3- c]quinolin-2-ol::US10654866, Example 2

SMILES: Oc1ccc2c3C(Oc4c(cccc4C(F)(F)F)-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1

InChI Key: InChIKey=BGOOMSGEXIBXHQ-UHFFFAOYSA-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 = 443432   

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))	BDBM443432 (Racemic 5-(4-{2- [3-(fluoromethyl) azetidin-1- yl]...) Show SMILES Oc1ccc2c3C(Oc4c(cccc4C(F)(F)F)-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C29H24F4N2O3/c30-13-17-15-35(16-17)10-11-37-20-7-4-18(5-8-20)27-26-22-9-6-19(36)12-25(22)34-14-23(26)21-2-1-3-24(28(21)38-27)29(31,32)33/h1-9,12,14,17,27,36H,10-11,13,15-16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.17	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))	BDBM443432 (Racemic 5-(4-{2- [3-(fluoromethyl) azetidin-1- yl]...) Show SMILES Oc1ccc2c3C(Oc4c(cccc4C(F)(F)F)-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C29H24F4N2O3/c30-13-17-15-35(16-17)10-11-37-20-7-4-18(5-8-20)27-26-22-9-6-19(36)12-25(22)34-14-23(26)21-2-1-3-24(28(21)38-27)29(31,32)33/h1-9,12,14,17,27,36H,10-11,13,15-16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.17	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))	BDBM443432 (Racemic 5-(4-{2- [3-(fluoromethyl) azetidin-1- yl]...) Show SMILES Oc1ccc2c3C(Oc4c(cccc4C(F)(F)F)-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C29H24F4N2O3/c30-13-17-15-35(16-17)10-11-37-20-7-4-18(5-8-20)27-26-22-9-6-19(36)12-25(22)34-14-23(26)21-2-1-3-24(28(21)38-27)29(31,32)33/h1-9,12,14,17,27,36H,10-11,13,15-16H2	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		6.78	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))	BDBM443432 (Racemic 5-(4-{2- [3-(fluoromethyl) azetidin-1- yl]...) Show SMILES Oc1ccc2c3C(Oc4c(cccc4C(F)(F)F)-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C29H24F4N2O3/c30-13-17-15-35(16-17)10-11-37-20-7-4-18(5-8-20)27-26-22-9-6-19(36)12-25(22)34-14-23(26)21-2-1-3-24(28(21)38-27)29(31,32)33/h1-9,12,14,17,27,36H,10-11,13,15-16H2	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.78	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