Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50401103'   

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))	BDBM50401103 (CHEMBL2205153) Show SMILES Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CC(=O)N1CCCC1 |(37.67,-22.1,;36.13,-22.1,;35.22,-20.85,;35.99,-19.52,;37.53,-19.53,;38.31,-18.21,;39.85,-18.21,;40.61,-19.55,;39.83,-20.87,;40.59,-22.2,;42.13,-22.21,;42.91,-20.87,;42.14,-19.54,;37.54,-16.87,;38.32,-15.54,;36,-16.86,;35.23,-15.53,;33.68,-15.53,;32.91,-16.88,;33.69,-18.21,;35.23,-18.2,;33.75,-21.33,;32.41,-20.57,;31.09,-21.34,;31.08,-22.88,;32.42,-23.65,;33.75,-22.88,;35.22,-23.36,;35.7,-24.82,;34.67,-25.96,;35.14,-27.43,;33.16,-25.65,;32.53,-24.25,;31,-24.42,;30.69,-25.92,;32.02,-26.69,)| Show InChI InChI=1S/C30H28N4O2/c1-21-28(25-15-7-8-16-26(25)33(21)20-27(35)32-17-9-10-18-32)29-23-13-5-6-14-24(23)30(36)34(31-29)19-22-11-3-2-4-12-22/h2-8,11-16H,9-10,17-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method				J Med Chem 55: 5088-109 (2012) Article DOI: 10.1021/jm300007n BindingDB Entry DOI: 10.7270/Q2S75HH0
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