BDBM50227390 CHEMBL301616

SMILES: COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Br

InChI Key: InChIKey=AFIGUFVMDMNGJX-UHFFFAOYSA-N

Data: 1 KI

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 = 50227390   

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 (Homo sapiens (Human))	BDBM50227390 (CHEMBL301616) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Br Show InChI InChI=1S/C31H32BrN3O5S/c1-35-19-23(25-18-24(13-14-27(25)35)33-30(36)15-20-7-3-4-8-20)16-21-11-12-22(17-28(21)40-2)31(37)34-41(38,39)29-10-6-5-9-26(29)32/h5-6,9-14,17-20H,3-4,7-8,15-16H2,1-2H3,(H,33,36)(H,34,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.				J Med Chem 33: 1781-90 (1990) BindingDB Entry DOI: 10.7270/Q2862FDP
					More data for this Ligand-Target Pair