BDBM50196337 2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl)-3-[3-(4-hydroxy-3-methoxy-benzyl)-thioureido]-propyl ester::2-((3-(4-hydroxy-3-methoxybenzyl)thioureido)methyl)-3-(3,4-dimethylphenyl)propyl pivalate::CHEMBL392495

SMILES: COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1O

InChI Key: InChIKey=KDYVIORLSJSMTG-UHFFFAOYSA-N

Data: 3 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 5 hits for monomerid = 50196337   

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 (Homo sapiens (Human))	BDBM50196337 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1O Show InChI InChI=1S/C26H36N2O4S/c1-17-7-8-19(11-18(17)2)12-21(16-32-24(30)26(3,4)5)15-28-25(33)27-14-20-9-10-22(29)23(13-20)31-6/h7-11,13,21,29H,12,14-16H2,1-6H3,(H2,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hospital of the University of Pennsylvania Curated by ChEMBL					Assay Description Agonistic activity against vanilloid receptor 1 (TRPV1)				J Med Chem 47: 2717-23 (2004) Article DOI: 10.1021/jm030560j BindingDB Entry DOI: 10.7270/Q2TQ6498
					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50196337 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1O Show InChI InChI=1S/C26H36N2O4S/c1-17-7-8-19(11-18(17)2)12-21(16-32-24(30)26(3,4)5)15-28-25(33)27-14-20-9-10-22(29)23(13-20)31-6/h7-11,13,21,29H,12,14-16H2,1-6H3,(H2,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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 17: 214-9 (2006) Article DOI: 10.1016/j.bmcl.2006.09.059 BindingDB Entry DOI: 10.7270/Q27D2TSX
					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50196337 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1O Show InChI InChI=1S/C26H36N2O4S/c1-17-7-8-19(11-18(17)2)12-21(16-32-24(30)26(3,4)5)15-28-25(33)27-14-20-9-10-22(29)23(13-20)31-6/h7-11,13,21,29H,12,14-16H2,1-6H3,(H2,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.				J Med Chem 46: 3116-26 (2003) Article DOI: 10.1021/jm030089u BindingDB Entry DOI: 10.7270/Q2SB4551
					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50196337 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1O Show InChI InChI=1S/C26H36N2O4S/c1-17-7-8-19(11-18(17)2)12-21(16-32-24(30)26(3,4)5)15-28-25(33)27-14-20-9-10-22(29)23(13-20)31-6/h7-11,13,21,29H,12,14-16H2,1-6H3,(H2,27,28,33)	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	2	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 maximal calcium uptake				Bioorg Med Chem Lett 17: 214-9 (2006) Article DOI: 10.1016/j.bmcl.2006.09.059 BindingDB Entry DOI: 10.7270/Q27D2TSX
					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50196337 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1O Show InChI InChI=1S/C26H36N2O4S/c1-17-7-8-19(11-18(17)2)12-21(16-32-24(30)26(3,4)5)15-28-25(33)27-14-20-9-10-22(29)23(13-20)31-6/h7-11,13,21,29H,12,14-16H2,1-6H3,(H2,27,28,33)	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	1.97	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description In vitro [Ca2+] influx relative to capsaicin by Rat Vanilloid receptor (VR1) expressing CHO cells				J Med Chem 46: 3116-26 (2003) Article DOI: 10.1021/jm030089u BindingDB Entry DOI: 10.7270/Q2SB4551
					More data for this Ligand-Target Pair