BDBM50331117 2-thiomorpholino-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine::CHEMBL1289712::US9422293, 100::US9738649, Example 100

SMILES: FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCSCC2)cc1

InChI Key: InChIKey=JOMYUJCRQDDFAR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50331117   

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
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50331117 (2-thiomorpholino-N-(4-(trifluoromethyl)phenyl)-7-(...) Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCSCC2)cc1 Show InChI InChI=1S/C25H24F6N6S/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...				US Patent US9422293 (2016) BindingDB Entry DOI: 10.7270/Q2P55MD8
					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50331117 (2-thiomorpholino-N-(4-(trifluoromethyl)phenyl)-7-(...) Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCSCC2)cc1 Show InChI InChI=1S/C25H24F6N6S/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica NV US Patent					Assay Description The assay was performed as described below, using HEK293 cells transfected with rat TRPV1 (rTRPV1/HEK293). These cells had a geneticin selection mark...				US Patent US9422293 (2016) BindingDB Entry DOI: 10.7270/Q2P55MD8
					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50331117 (2-thiomorpholino-N-(4-(trifluoromethyl)phenyl)-7-(...) Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCSCC2)cc1 Show InChI InChI=1S/C25H24F6N6S/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA N.V. US Patent					Assay Description The assay was performed as described above, using HEK293 cells transfected with rat TRPV1 (rTRPV1/HEK293). These cells had a geneticin selection mark...				US Patent US9738649 (2017) BindingDB Entry DOI: 10.7270/Q2G73GVH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50331117 (2-thiomorpholino-N-(4-(trifluoromethyl)phenyl)-7-(...) Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCSCC2)cc1 Show InChI InChI=1S/C25H24F6N6S/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA N.V. US Patent					Assay Description HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...				US Patent US9738649 (2017) BindingDB Entry DOI: 10.7270/Q2G73GVH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50331117 (2-thiomorpholino-N-(4-(trifluoromethyl)phenyl)-7-(...) Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCSCC2)cc1 Show InChI InChI=1S/C25H24F6N6S/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay				Bioorg Med Chem Lett 20: 7137-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.023 BindingDB Entry DOI: 10.7270/Q29W0FQ5
					More data for this Ligand-Target Pair