null

SMILES: CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1(C)CCCC(CC(O)=O)C1

InChI Key: InChIKey=OUVZPSHLKWIEQH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 261481   

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
Substance-P receptor (Homo sapiens (Human))	BDBM261481 (US10011568, Ex. No. 4 | US9708266, 4) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1(C)CCCC(CC(O)=O)C1 Show InChI InChI=1S/C34H35F7N2O3/c1-19-11-24(35)8-9-25(19)26-16-28(32(4)10-6-7-20(17-32)12-29(44)45)42-18-27(26)43(5)30(46)31(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h8-9,11,13-16,18,20H,6-7,10,12,17H2,1-5H3,(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	2.35	n/a	n/a	n/a	n/a	7.4	25
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 μL/well. DMSO solutions ...				US Patent US9708266 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BGS
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM261481 (US10011568, Ex. No. 4 | US9708266, 4) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1(C)CCCC(CC(O)=O)C1 Show InChI InChI=1S/C34H35F7N2O3/c1-19-11-24(35)8-9-25(19)26-16-28(32(4)10-6-7-20(17-32)12-29(44)45)42-18-27(26)43(5)30(46)31(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h8-9,11,13-16,18,20H,6-7,10,12,17H2,1-5H3,(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	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					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 ...				J Med Chem 52: 5013-6 (2009) BindingDB Entry DOI: 10.7270/Q2HT2RQT
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM261481 (US10011568, Ex. No. 4 | US9708266, 4) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1(C)CCCC(CC(O)=O)C1 Show InChI InChI=1S/C34H35F7N2O3/c1-19-11-24(35)8-9-25(19)26-16-28(32(4)10-6-7-20(17-32)12-29(44)45)42-18-27(26)43(5)30(46)31(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h8-9,11,13-16,18,20H,6-7,10,12,17H2,1-5H3,(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	2.35	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					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 μL/well. DMSO solutions ...				J Med Chem 52: 5013-6 (2009) BindingDB Entry DOI: 10.7270/Q2HT2RQT
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM261481 (US10011568, Ex. No. 4 | US9708266, 4) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1(C)CCCC(CC(O)=O)C1 Show InChI InChI=1S/C34H35F7N2O3/c1-19-11-24(35)8-9-25(19)26-16-28(32(4)10-6-7-20(17-32)12-29(44)45)42-18-27(26)43(5)30(46)31(2,3)21-13-22(33(36,37)38)15-23(14-21)34(39,40)41/h8-9,11,13-16,18,20H,6-7,10,12,17H2,1-5H3,(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	7.10E+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 US9708266 (2017) BindingDB Entry DOI: 10.7270/Q2HM5BGS
					More data for this Ligand-Target Pair