BDBM173761 US9102591, (+)N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxy-2-methyl-benzamide::US9102591, (-)N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxy-2-methyl-benzamide::US9649308, (+)N-[3-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]-3-methoxy-2-methyl-benzamide

SMILES: COc1cccc(C(=O)NCC(CC2CC2)c2cnc(nc2)C(F)(F)F)c1C

InChI Key: InChIKey=QMCVZDMPWUCYFJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 173761   

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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173761 (US9102591, (+)N-[3-cyclopropyl-2-[2-(trifluorometh...) Show SMILES COc1cccc(C(=O)NCC(CC2CC2)c2cnc(nc2)C(F)(F)F)c1C Show InChI InChI=1S/C20H22F3N3O2/c1-12-16(4-3-5-17(12)28-2)18(27)24-9-14(8-13-6-7-13)15-10-25-19(26-11-15)20(21,22)23/h3-5,10-11,13-14H,6-9H2,1-2H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	25
H. Lundbeck A/S US Patent					Assay Description Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...				US Patent US9102591 (2015) BindingDB Entry DOI: 10.7270/Q2028Q92
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173761 (US9102591, (+)N-[3-cyclopropyl-2-[2-(trifluorometh...) Show SMILES COc1cccc(C(=O)NCC(CC2CC2)c2cnc(nc2)C(F)(F)F)c1C Show InChI InChI=1S/C20H22F3N3O2/c1-12-16(4-3-5-17(12)28-2)18(27)24-9-14(8-13-6-7-13)15-10-25-19(26-11-15)20(21,22)23/h3-5,10-11,13-14H,6-9H2,1-2H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...				US Patent US9649308 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R29
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173761 (US9102591, (+)N-[3-cyclopropyl-2-[2-(trifluorometh...) Show SMILES COc1cccc(C(=O)NCC(CC2CC2)c2cnc(nc2)C(F)(F)F)c1C Show InChI InChI=1S/C20H22F3N3O2/c1-12-16(4-3-5-17(12)28-2)18(27)24-9-14(8-13-6-7-13)15-10-25-19(26-11-15)20(21,22)23/h3-5,10-11,13-14H,6-9H2,1-2H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...				US Patent US9649308 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R29
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM173761 (US9102591, (+)N-[3-cyclopropyl-2-[2-(trifluorometh...) Show SMILES COc1cccc(C(=O)NCC(CC2CC2)c2cnc(nc2)C(F)(F)F)c1C Show InChI InChI=1S/C20H22F3N3O2/c1-12-16(4-3-5-17(12)28-2)18(27)24-9-14(8-13-6-7-13)15-10-25-19(26-11-15)20(21,22)23/h3-5,10-11,13-14H,6-9H2,1-2H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	25
H. Lundbeck A/S US Patent					Assay Description Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...				US Patent US9102591 (2015) BindingDB Entry DOI: 10.7270/Q2028Q92
					More data for this Ligand-Target Pair