BDBM50226780 CHEMBL352513

SMILES: CCCc1c(COc2ccc(Cc3nnn[nH]3)cc2)ccc(\C(C)=N/O)c1O

InChI Key: InChIKey=AAMKSTAAYLMYJM-QRVIBDJDSA-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 = 50226780   

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
Cysteinyl leukotriene receptor 1/2 (Homo sapiens (Human))	BDBM50226780 (CHEMBL352513) Show SMILES CCCc1c(COc2ccc(Cc3nnn[nH]3)cc2)ccc(\C(C)=N/O)c1O Show InChI InChI=1S/C20H23N5O3/c1-3-4-18-15(7-10-17(20(18)26)13(2)23-27)12-28-16-8-5-14(6-9-16)11-19-21-24-25-22-19/h5-10,26-27H,3-4,11-12H2,1-2H3,(H,21,22,24,25)/b23-13-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of LTD4-induced contraction in guinea pig ileum				J Med Chem 30: 911-8 (1987) BindingDB Entry DOI: 10.7270/Q25X2B45
					More data for this Ligand-Target Pair