Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50044158   

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))	BDBM50006823 (CHEMBL3236950) Show SMILES Cc1c(-c2cn(CCCC(F)(F)F)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O |(20.58,-56.23,;19.11,-56.7,;17.87,-55.8,;17.87,-54.26,;19.21,-53.49,;19.21,-51.95,;20.54,-51.18,;21.88,-51.96,;23.21,-51.19,;24.55,-51.96,;25.88,-51.19,;24.55,-53.5,;26.03,-52.36,;17.87,-51.18,;17.87,-49.64,;16.54,-51.96,;15.21,-51.19,;13.88,-51.96,;13.89,-53.5,;15.22,-54.26,;16.54,-53.49,;16.62,-56.71,;15.12,-56.39,;14.1,-57.53,;12.59,-57.21,;14.57,-58.99,;16.07,-59.3,;17.09,-58.17,;18.63,-58.17,;19.54,-59.42,;21.07,-59.26,;21.7,-57.85,;21.98,-60.5,)| Show InChI InChI=1S/C24H20F4N2O3/c1-14-22(18-11-15(25)7-8-20(18)30(14)13-21(31)32)19-12-29(10-4-9-24(26,27)28)23(33)17-6-3-2-5-16(17)19/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 in human peripheral blood assessed as inhibition of PGD2-induced eosinophil shape change at room temperature by flow cyt...				J Med Chem 57: 1299-322 (2014) Article DOI: 10.1021/jm401509e BindingDB Entry DOI: 10.7270/Q21V5GGH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50006830 (CHEMBL3236948) Show SMILES CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O |(57.2,-40.02,;55.86,-39.25,;55.86,-37.71,;54.53,-40.02,;54.52,-41.56,;53.19,-42.33,;53.19,-43.87,;54.43,-44.77,;55.89,-44.3,;53.95,-46.24,;54.86,-47.48,;56.39,-47.32,;57.02,-45.92,;57.29,-48.57,;52.41,-46.24,;51.39,-47.37,;49.89,-47.06,;49.41,-45.59,;47.9,-45.27,;50.44,-44.45,;51.94,-44.77,;51.86,-41.56,;50.54,-42.33,;49.21,-41.57,;49.2,-40.03,;50.53,-39.26,;51.86,-40.03,;53.19,-39.25,;53.19,-37.71,)| Show InChI InChI=1S/C23H21FN2O3/c1-13(2)25-11-19(16-6-4-5-7-17(16)23(25)29)22-14(3)26(12-21(27)28)20-9-8-15(24)10-18(20)22/h4-11,13H,12H2,1-3H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 in human peripheral blood assessed as inhibition of PGD2-induced eosinophil shape change at room temperature by flow cyt...				J Med Chem 57: 1299-322 (2014) Article DOI: 10.1021/jm401509e BindingDB Entry DOI: 10.7270/Q21V5GGH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50006818 (CHEMBL3236951) Show SMILES Cc1c(-c2cn(CC(C)(C)C)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O |(34.69,-56,;33.23,-56.48,;31.99,-55.57,;31.99,-54.03,;33.32,-53.27,;33.33,-51.73,;34.66,-50.96,;36,-51.73,;35.99,-53.27,;37.33,-50.96,;37.32,-52.49,;31.99,-50.95,;31.99,-49.41,;30.66,-51.73,;29.33,-50.97,;28,-51.74,;28.01,-53.28,;29.33,-54.04,;30.66,-53.27,;30.74,-56.48,;29.24,-56.16,;28.21,-57.3,;26.7,-56.98,;28.69,-58.76,;30.19,-59.08,;31.21,-57.94,;32.75,-57.94,;33.66,-59.19,;35.19,-59.03,;35.82,-57.62,;36.09,-60.28,)| Show InChI InChI=1S/C25H25FN2O3/c1-15-23(19-11-16(26)9-10-21(19)28(15)13-22(29)30)20-12-27(14-25(2,3)4)24(31)18-8-6-5-7-17(18)20/h5-12H,13-14H2,1-4H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 in human peripheral blood assessed as inhibition of PGD2-induced eosinophil shape change at room temperature by flow cyt...				J Med Chem 57: 1299-322 (2014) Article DOI: 10.1021/jm401509e BindingDB Entry DOI: 10.7270/Q21V5GGH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50006827 (CHEMBL3236949) Show SMILES Cc1c(-c2cn(CC(F)(F)F)c(=O)c3ccccc23)c2cc(F)ccc2n1CC(O)=O |(7.05,-54.88,;5.58,-55.35,;4.34,-54.45,;4.34,-52.9,;5.68,-52.13,;5.68,-50.59,;7.02,-49.82,;8.36,-50.59,;8.36,-52.14,;9.7,-49.82,;9.45,-51.68,;4.34,-49.81,;4.34,-48.27,;3,-50.6,;1.67,-49.83,;.34,-50.6,;.35,-52.15,;1.68,-52.91,;3,-52.14,;3.09,-55.36,;1.58,-55.04,;.55,-56.18,;-.96,-55.86,;1.03,-57.65,;2.53,-57.96,;3.56,-56.82,;5.1,-56.82,;6.01,-58.08,;7.55,-57.92,;8.18,-56.5,;8.46,-59.17,)| Show InChI InChI=1S/C22H16F4N2O3/c1-12-20(16-8-13(23)6-7-18(16)28(12)10-19(29)30)17-9-27(11-22(24,25)26)21(31)15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	25
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 in human peripheral blood assessed as inhibition of PGD2-induced eosinophil shape change at room temperature by flow cyt...				J Med Chem 57: 1299-322 (2014) Article DOI: 10.1021/jm401509e BindingDB Entry DOI: 10.7270/Q21V5GGH
					More data for this Ligand-Target Pair