Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cysteinyl leukotriene receptor 1' and Ligand = 'BDBM50104904'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104904 (CHEMBL3597617) Show SMILES Cc1c(CCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O Show InChI InChI=1S/C33H32ClNO5/c1-22-25(8-6-11-30(22)34)7-3-4-20-40-27-16-13-24(14-17-27)12-15-26-9-5-10-29-28(18-19-31(36)37)23(2)35(33(26)29)21-32(38)39/h5-6,8-11,13-14,16-17H,3-4,7,18-21H2,1-2H3,(H,36,37)(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
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