null

SMILES: CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccc(F)cc1C)N1CCC(CC(O)=O)CC1)C#N

InChI Key: InChIKey=XAMIKPXOHVPWBZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 292011   

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))	BDBM292011 (US10100030, Example 6) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccc(F)cc1C)N1CCC(CC(O)=O)CC1)C#N Show InChI InChI=1S/C33H31F7N4O3/c1-18-11-23(34)5-6-24(18)25-16-27(44-9-7-19(8-10-44)12-28(45)46)42-26(17-41)29(25)43(4)30(47)31(2,3)20-13-21(32(35,36)37)15-22(14-20)33(38,39)40/h5-6,11,13-16,19H,7-10,12H2,1-4H3,(H,45,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60E+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
Substance-P receptor (Homo sapiens (Human))	BDBM292011 (US10100030, Example 6) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccc(F)cc1C)N1CCC(CC(O)=O)CC1)C#N Show InChI InChI=1S/C33H31F7N4O3/c1-18-11-23(34)5-6-24(18)25-16-27(44-9-7-19(8-10-44)12-28(45)46)42-26(17-41)29(25)43(4)30(47)31(2,3)20-13-21(32(35,36)37)15-22(14-20)33(38,39)40/h5-6,11,13-16,19H,7-10,12H2,1-4H3,(H,45,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	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