BDBM50226778 CHEMBL172434

SMILES: CCCc1c(COCCOc2ccc(Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O

InChI Key: InChIKey=VZKVRBRBVFYTPT-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 = 50226778   

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))	BDBM50226778 (CHEMBL172434) Show SMILES CCCc1c(COCCOc2ccc(Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O Show InChI InChI=1S/C22H26N4O4/c1-3-4-20-17(7-10-19(15(2)27)22(20)28)14-29-11-12-30-18-8-5-16(6-9-18)13-21-23-25-26-24-21/h5-10,28H,3-4,11-14H2,1-2H3,(H,23,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	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