BDBM50144676 2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl)-3-[3-(4-methanesulfonylamino-benzyl)-thioureido-N-hydroxy]-propyl ester::CHEMBL305668

SMILES: Cc1ccc(CC(CNC(=S)N(O)Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C

InChI Key: InChIKey=JXHSIHZPZUGAKJ-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50144676   

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))	BDBM50144676 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) Show SMILES Cc1ccc(CC(CNC(=S)N(O)Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C Show InChI InChI=1S/C26H37N3O5S2/c1-18-7-8-21(13-19(18)2)14-22(17-34-24(30)26(3,4)5)15-27-25(35)29(31)16-20-9-11-23(12-10-20)28-36(6,32)33/h7-13,22,28,31H,14-17H2,1-6H3,(H,27,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	481	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.				Bioorg Med Chem Lett 14: 2291-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.002 BindingDB Entry DOI: 10.7270/Q2TT4QCG
					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus (rat))	BDBM50144676 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) Show SMILES Cc1ccc(CC(CNC(=S)N(O)Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C Show InChI InChI=1S/C26H37N3O5S2/c1-18-7-8-21(13-19(18)2)14-22(17-34-24(30)26(3,4)5)15-27-25(35)29(31)16-20-9-11-23(12-10-20)28-36(6,32)33/h7-13,22,28,31H,14-17H2,1-6H3,(H,27,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description In vitro antagonist effect against 50 nM capsaicin-induced 45 [Ca2+] influx in vanilloid recptor expressing CHO cells				Bioorg Med Chem Lett 14: 2291-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.002 BindingDB Entry DOI: 10.7270/Q2TT4QCG
					More data for this Ligand-Target Pair