BDBM292014 US10100030, Example 9

SMILES: CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC(C)(CC(O)=O)CC1

InChI Key: InChIKey=YPLNERORKXLZNH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 292014   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM292014 (US10100030, Example 9) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC(C)(CC(O)=O)CC1 Show InChI InChI=1S/C33H34F7N3O3/c1-19-12-23(34)6-7-24(19)25-16-27(43-10-8-31(4,9-11-43)17-28(44)45)41-18-26(25)42(5)29(46)30(2,3)20-13-21(32(35,36)37)15-22(14-20)33(38,39)40/h6-7,12-16,18H,8-11,17H2,1-5H3,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	7.4	25
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a ...				US Patent US10100030 (2018) BindingDB Entry DOI: 10.7270/Q2W95C7C
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM292014 (US10100030, Example 9) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC(C)(CC(O)=O)CC1 Show InChI InChI=1S/C33H34F7N3O3/c1-19-12-23(34)6-7-24(19)25-16-27(43-10-8-31(4,9-11-43)17-28(44)45)41-18-26(25)42(5)29(46)30(2,3)20-13-21(32(35,36)37)15-22(14-20)33(38,39)40/h6-7,12-16,18H,8-11,17H2,1-5H3,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.83	n/a	n/a	n/a	n/a	7.4	60
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 uL/well. DMSO solutions of a ...				US Patent US10100030 (2018) BindingDB Entry DOI: 10.7270/Q2W95C7C
					More data for this Ligand-Target Pair