BDBM50226799 CHEMBL173951

SMILES: CCCc1c(COc2ccc(\C=C\c3nn[nH]n3)cc2)ccc(C(C)=O)c1O

InChI Key: InChIKey=QUCYXHNWOPLCAP-KPKJPENVSA-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 = 50226799   

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))	BDBM50226799 (CHEMBL173951) Show SMILES CCCc1c(COc2ccc(\C=C\c3nn[nH]n3)cc2)ccc(C(C)=O)c1O Show InChI InChI=1S/C21H22N4O3/c1-3-4-19-16(8-11-18(14(2)26)21(19)27)13-28-17-9-5-15(6-10-17)7-12-20-22-24-25-23-20/h5-12,27H,3-4,13H2,1-2H3,(H,22,23,24,25)/b12-7+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	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