BDBM50292430 CHEMBL479515::aerophobin-1

SMILES: COC1=C(Br)C(O)C2(CC(=NO2)C(=O)NCCc2cnc[nH]2)C=C1Br

InChI Key: InChIKey=MDUQIEXQKMPARD-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50292430   

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
HRH3 (GUINEA PIG)	BDBM50292430 (CHEMBL479515 | aerophobin-1) Show SMILES COC1=C(Br)C(O)C2(CC(=NO2)C(=O)NCCc2cnc[nH]2)C=C1Br |c:2,9,24| Show InChI InChI=1S/C15H16Br2N4O4/c1-24-12-9(16)4-15(13(22)11(12)17)5-10(21-25-15)14(23)19-3-2-8-6-18-7-20-8/h4,6-7,13,22H,2-3,5H2,1H3,(H,18,20)(H,19,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor in guinea pig brain membrane				J Nat Prod 57: 175-177 (1994) Article DOI: 10.1021/np50103a029 BindingDB Entry DOI: 10.7270/Q2ZK5GPT
					More data for this Ligand-Target Pair