Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50458674'   

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))	BDBM50458674 (CHEMBL4212522) Show SMILES [H][C@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[C@@H]2N(CC1CCC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C29H31F3N2O5/c30-29(31,32)39-20-13-11-19(12-14-20)28(38)34-23-9-2-1-7-21(23)27(22-8-4-10-24(22)34)33(17-18-5-3-6-18)25(35)15-16-26(36)37/h1-2,7,9,11-14,18,22,24,27H,3-6,8,10,15-17H2,(H,36,37)/t22-,24-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
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