BDBM288614 (E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2-methylpropyl)-3-methyl-6-(1-propyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroisoquinolin-1-yl)phenyl)acrylic acid::US10087191, Example 18

SMILES: CCCn1cc(cn1)-c1ccc2C(N(CC(C)(C)F)C(C)Cc2c1)c1c(F)cc(\C=C\C(O)=O)cc1F

InChI Key: InChIKey=CLTMPAFYNBEFJQ-RMKNXTFCSA-N

Data: 1 IC50

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 1 hit for monomerid = 288614   

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
G-protein coupled estrogen receptor 1 (Homo sapiens (Human))	BDBM288614 ((E)-3-(3,5-difluoro-4-((1S,3R/1R,3S)-2-(2-fluoro-2...) Show SMILES CCCn1cc(cn1)-c1ccc2C(N(CC(C)(C)F)C(C)Cc2c1)c1c(F)cc(\C=C\C(O)=O)cc1F Show InChI InChI=1S/C29H32F3N3O2/c1-5-10-34-16-22(15-33-34)20-7-8-23-21(14-20)11-18(2)35(17-29(3,4)32)28(23)27-24(30)12-19(13-25(27)31)6-9-26(36)37/h6-9,12-16,18,28H,5,10-11,17H2,1-4H3,(H,36,37)/b9-6+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.52	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the bindi...				US Patent US10087191 (2018) BindingDB Entry DOI: 10.7270/Q2BP04T1
					More data for this Ligand-Target Pair