BDBM50130551 2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl)-3-{3-[4-(methanesulfonylamino-methyl)-benzyl]-thioureido}-propyl ester::CHEMBL107115

SMILES: Cc1ccc(CC(CNC(=S)NCc2ccc(CNS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C

InChI Key: InChIKey=KCKPPZGMDMBRQY-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50130551   

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))	BDBM50130551 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(CNS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C Show InChI InChI=1S/C27H39N3O4S2/c1-19-7-8-23(13-20(19)2)14-24(18-34-25(31)27(3,4)5)16-29-26(35)28-15-21-9-11-22(12-10-21)17-30-36(6,32)33/h7-13,24,30H,14-18H2,1-6H3,(H2,28,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.00E+3	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))	BDBM50130551 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(CNS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C Show InChI InChI=1S/C27H39N3O4S2/c1-19-7-8-23(13-20(19)2)14-24(18-34-25(31)27(3,4)5)16-29-26(35)28-15-21-9-11-22(12-10-21)17-30-36(6,32)33/h7-13,24,30H,14-18H2,1-6H3,(H2,28,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	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