BDBM50055028 1-[4-(2-Amino-ethoxy)-3-methoxy-benzyl]-3-(4-tert-butyl-benzyl)-thiourea::CHEMBL356291

SMILES: COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1OCCN

InChI Key: InChIKey=CRYDRZCVOYLUOV-UHFFFAOYSA-N

Data: 1 KI  2 EC50

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 3 hits for monomerid = 50055028   

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
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50055028 (1-[4-(2-Amino-ethoxy)-3-methoxy-benzyl]-3-(4-tert-...) Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1OCCN Show InChI InChI=1S/C22H31N3O2S/c1-22(2,3)18-8-5-16(6-9-18)14-24-21(28)25-15-17-7-10-19(27-12-11-23)20(13-17)26-4/h5-10,13H,11-12,14-15,23H2,1-4H3,(H2,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells				Bioorg Med Chem Lett 22: 5227-31 (2012) Article DOI: 10.1016/j.bmcl.2012.06.059 BindingDB Entry DOI: 10.7270/Q2NS0VZB
					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50055028 (1-[4-(2-Amino-ethoxy)-3-methoxy-benzyl]-3-(4-tert-...) Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1OCCN Show InChI InChI=1S/C22H31N3O2S/c1-22(2,3)18-8-5-16(6-9-18)14-24-21(28)25-15-17-7-10-19(27-12-11-23)20(13-17)26-4/h5-10,13H,11-12,14-15,23H2,1-4H3,(H2,24,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
Sandoz Institute for Medical Research Curated by ChEMBL					Assay Description Compound tested in vitro for [Ca2+] influx into neonatal rat dorsal root ganglia (DRG)				J Med Chem 39: 4942-51 (1996) Article DOI: 10.1021/jm960512h BindingDB Entry DOI: 10.7270/Q2XP77PD
					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50055028 (1-[4-(2-Amino-ethoxy)-3-methoxy-benzyl]-3-(4-tert-...) Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1OCCN Show InChI InChI=1S/C22H31N3O2S/c1-22(2,3)18-8-5-16(6-9-18)14-24-21(28)25-15-17-7-10-19(27-12-11-23)20(13-17)26-4/h5-10,13H,11-12,14-15,23H2,1-4H3,(H2,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	132	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Agonist activity at rat TRPV1 expressed in CHO cells assessed as calcium uptake				Bioorg Med Chem Lett 22: 5227-31 (2012) Article DOI: 10.1016/j.bmcl.2012.06.059 BindingDB Entry DOI: 10.7270/Q2NS0VZB
					More data for this Ligand-Target Pair