Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50384474'   

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
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50384474 (CHEMBL2036223) Show SMILES CS(=O)(=O)c1ccc(CN(C(=O)C2CCCC2)c2cc(F)cc(c2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H22FN5O3S/c1-31(29,30)19-8-6-14(7-9-19)13-27(21(28)15-4-2-3-5-15)18-11-16(10-17(22)12-18)20-23-25-26-24-20/h6-12,15H,2-5,13H2,1H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay				ACS Med Chem Lett 2: 938-942 (2011) Article DOI: 10.1021/ml200223s BindingDB Entry DOI: 10.7270/Q2Z89DGQ
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50384474 (CHEMBL2036223) Show SMILES CS(=O)(=O)c1ccc(CN(C(=O)C2CCCC2)c2cc(F)cc(c2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H22FN5O3S/c1-31(29,30)19-8-6-14(7-9-19)13-27(21(28)15-4-2-3-5-15)18-11-16(10-17(22)12-18)20-23-25-26-24-20/h6-12,15H,2-5,13H2,1H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CRTH2 receptor expressed in CHO cell membrane assessed as inhibition of PGD2-induced [35S]GTPgammaS binding after 30 min...				ACS Med Chem Lett 2: 938-942 (2011) Article DOI: 10.1021/ml200223s BindingDB Entry DOI: 10.7270/Q2Z89DGQ
					More data for this Ligand-Target Pair