BDBM50362754 CHEMBL1939979

SMILES: COc1ccc(cc1)C1NC(=S)N=C2C1C(=O)c1ccccc21

InChI Key: InChIKey=HOAQKIDPCKGSCL-UHFFFAOYSA-N

Data: 2 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 = 50362754   

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
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362754 (CHEMBL1939979) Show SMILES COc1ccc(cc1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13| Show InChI InChI=1S/C18H14N2O2S/c1-22-11-8-6-10(7-9-11)15-14-16(20-18(23)19-15)12-4-2-3-5-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362754 (CHEMBL1939979) Show SMILES COc1ccc(cc1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13| Show InChI InChI=1S/C18H14N2O2S/c1-22-11-8-6-10(7-9-11)15-14-16(20-18(23)19-15)12-4-2-3-5-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair