BDBM50331141 7-(3-(methylsulfonyl)pyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine::CHEMBL1290036::US9422293, 283::US9738649, Example 283

SMILES: CS(=O)(=O)c1cccnc1N1CCc2ncnc(Nc3ccc(cc3)C(F)(F)F)c2CC1

InChI Key: InChIKey=JVAQUSIYGAKOLL-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 = 50331141   

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))	BDBM50331141 (7-(3-(methylsulfonyl)pyridin-2-yl)-N-(4-(trifluoro...) Show SMILES CS(=O)(=O)c1cccnc1N1CCc2ncnc(Nc3ccc(cc3)C(F)(F)F)c2CC1 Show InChI InChI=1S/C21H20F3N5O2S/c1-32(30,31)18-3-2-10-25-20(18)29-11-8-16-17(9-12-29)26-13-27-19(16)28-15-6-4-14(5-7-15)21(22,23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,27,28)	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	2.99E+3	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))	BDBM50331141 (7-(3-(methylsulfonyl)pyridin-2-yl)-N-(4-(trifluoro...) Show SMILES CS(=O)(=O)c1cccnc1N1CCc2ncnc(Nc3ccc(cc3)C(F)(F)F)c2CC1 Show InChI InChI=1S/C21H20F3N5O2S/c1-32(30,31)18-3-2-10-25-20(18)29-11-8-16-17(9-12-29)26-13-27-19(16)28-15-6-4-14(5-7-15)21(22,23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,27,28)	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	8.52E+3	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))	BDBM50331141 (7-(3-(methylsulfonyl)pyridin-2-yl)-N-(4-(trifluoro...) Show SMILES CS(=O)(=O)c1cccnc1N1CCc2ncnc(Nc3ccc(cc3)C(F)(F)F)c2CC1 Show InChI InChI=1S/C21H20F3N5O2S/c1-32(30,31)18-3-2-10-25-20(18)29-11-8-16-17(9-12-29)26-13-27-19(16)28-15-6-4-14(5-7-15)21(22,23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,27,28)	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	8.52E+3	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))	BDBM50331141 (7-(3-(methylsulfonyl)pyridin-2-yl)-N-(4-(trifluoro...) Show SMILES CS(=O)(=O)c1cccnc1N1CCc2ncnc(Nc3ccc(cc3)C(F)(F)F)c2CC1 Show InChI InChI=1S/C21H20F3N5O2S/c1-32(30,31)18-3-2-10-25-20(18)29-11-8-16-17(9-12-29)26-13-27-19(16)28-15-6-4-14(5-7-15)21(22,23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,27,28)	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	2.99E+3	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))	BDBM50331141 (7-(3-(methylsulfonyl)pyridin-2-yl)-N-(4-(trifluoro...) Show SMILES CS(=O)(=O)c1cccnc1N1CCc2ncnc(Nc3ccc(cc3)C(F)(F)F)c2CC1 Show InChI InChI=1S/C21H20F3N5O2S/c1-32(30,31)18-3-2-10-25-20(18)29-11-8-16-17(9-12-29)26-13-27-19(16)28-15-6-4-14(5-7-15)21(22,23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,27,28)	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	2.33E+3	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