BDBM50144662 2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl)-3-[3-(3-methoxy-4-methanesulfonylamino-benzyl)-thioureido-N-hydroxy]-propyl ester::CHEMBL74873

SMILES: COc1cc(CNC(=S)N(O)CC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O

InChI Key: InChIKey=HPZJNYWXJRUXGM-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 = 50144662   

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))	BDBM50144662 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) Show SMILES COc1cc(CNC(=S)N(O)CC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O Show InChI InChI=1S/C27H39N3O6S2/c1-18-8-9-20(12-19(18)2)13-22(17-36-25(31)27(3,4)5)16-30(32)26(37)28-15-21-10-11-23(24(14-21)35-6)29-38(7,33)34/h8-12,14,22,29,32H,13,15-17H2,1-7H3,(H,28,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	396	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))	BDBM50144662 (2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...) Show SMILES COc1cc(CNC(=S)N(O)CC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O Show InChI InChI=1S/C27H39N3O6S2/c1-18-8-9-20(12-19(18)2)13-22(17-36-25(31)27(3,4)5)16-30(32)26(37)28-15-21-10-11-23(24(14-21)35-6)29-38(7,33)34/h8-12,14,22,29,32H,13,15-17H2,1-7H3,(H,28,37)	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	809	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