Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50033800   

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 E2 receptor EP2 subtype (Mus musculus (Mouse))	BDBM50351484 (CHEMBL1819623) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3F)c(Cl)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C25H22ClFN2O5/c1-29-13-17(34-23-5-3-2-4-22(23)29)14-33-16-7-8-18(19(26)12-16)25(32)28-21-10-15(11-24(30)31)6-9-20(21)27/h2-10,12,17H,11,13-14H2,1H3,(H,28,32)(H,30,31)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from mouse prostaglandin EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Mus musculus (Mouse))	BDBM50351483 (CHEMBL1819622) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3Cl)c(Cl)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C25H22Cl2N2O5/c1-29-13-17(34-23-5-3-2-4-22(23)29)14-33-16-7-8-18(20(27)12-16)25(32)28-21-10-15(11-24(30)31)6-9-19(21)26/h2-10,12,17H,11,13-14H2,1H3,(H,28,32)(H,30,31)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from mouse prostaglandin EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Mus musculus (Mouse))	BDBM50351482 (CHEMBL1819612) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(C)cc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C27H28N2O5/c1-17-10-19(14-26(30)31)13-20(11-17)28-27(32)23-9-8-21(12-18(23)2)33-16-22-15-29(3)24-6-4-5-7-25(24)34-22/h4-13,22H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from mouse prostaglandin EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Mus musculus (Mouse))	BDBM50152515 (CHEMBL364841 | {2-Methyl-1-[4-(4-methyl-3,4-dihydr...) Show SMILES CN1C[C@@H](COc2ccc(cc2)C(=O)n2c(C)cc3c(CC(O)=O)cccc23)Oc2ccccc12 Show InChI InChI=1S/C28H26N2O5/c1-18-14-23-20(15-27(31)32)6-5-8-24(23)30(18)28(33)19-10-12-21(13-11-19)34-17-22-16-29(2)25-7-3-4-9-26(25)35-22/h3-14,22H,15-17H2,1-2H3,(H,31,32)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from mouse prostaglandin EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Mus musculus (Mouse))	BDBM50351481 (CHEMBL1819611) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C27H28N2O5/c1-17-8-9-19(14-26(30)31)13-23(17)28-27(32)22-11-10-20(12-18(22)2)33-16-21-15-29(3)24-6-4-5-7-25(24)34-21/h4-13,21H,14-16H2,1-3H3,(H,28,32)(H,30,31)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from mouse prostaglandin EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Mus musculus (Mouse))	BDBM50351485 (CHEMBL1819603) Show SMILES CN1C[C@@H](COc2ccc(cc2)C(=O)Nc2cccc(CC(O)=O)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C25H24N2O5/c1-27-15-21(32-23-8-3-2-7-22(23)27)16-31-20-11-9-18(10-12-20)25(30)26-19-6-4-5-17(13-19)14-24(28)29/h2-13,21H,14-16H2,1H3,(H,26,30)(H,28,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from mouse prostaglandin EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Mus musculus (Mouse))	BDBM50351476 (CHEMBL1819604) Show SMILES CN1C[C@@H](COc2ccc(cc2)S(=O)(=O)Nc2cccc(CC(O)=O)c2)Oc2ccccc12 |r| Show InChI InChI=1S/C24H24N2O6S/c1-26-15-20(32-23-8-3-2-7-22(23)26)16-31-19-9-11-21(12-10-19)33(29,30)25-18-6-4-5-17(13-18)14-24(27)28/h2-13,20,25H,14-16H2,1H3,(H,27,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from mouse prostaglandin EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Mus musculus (Mouse))	BDBM50351477 (CHEMBL1819605) Show SMILES CN1C[C@@H](COc2ccc(NC(=O)c3cccc(CC(O)=O)c3)cc2)Oc2ccccc12 |r| Show InChI InChI=1S/C25H24N2O5/c1-27-15-21(32-23-8-3-2-7-22(23)27)16-31-20-11-9-19(10-12-20)26-25(30)18-6-4-5-17(13-18)14-24(28)29/h2-13,21H,14-16H2,1H3,(H,26,30)(H,28,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from mouse prostaglandin EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Mus musculus (Mouse))	BDBM50351478 (CHEMBL1819606) Show SMILES CN(C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1)c1cccc(CC(O)=O)c1 |r| Show InChI InChI=1S/C26H26N2O5/c1-27-16-22(33-24-9-4-3-8-23(24)27)17-32-21-12-10-19(11-13-21)26(31)28(2)20-7-5-6-18(14-20)15-25(29)30/h3-14,22H,15-17H2,1-2H3,(H,29,30)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from mouse prostaglandin EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Mus musculus (Mouse))	BDBM50351479 (CHEMBL1819607) Show SMILES CCN(C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1)c1cccc(CC(O)=O)c1 |r| Show InChI InChI=1S/C27H28N2O5/c1-3-29(21-8-6-7-19(15-21)16-26(30)31)27(32)20-11-13-22(14-12-20)33-18-23-17-28(2)24-9-4-5-10-25(24)34-23/h4-15,23H,3,16-18H2,1-2H3,(H,30,31)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from mouse prostaglandin EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting				Bioorg Med Chem 19: 5361-71 (2011) Article DOI: 10.1016/j.bmc.2011.08.007 BindingDB Entry DOI: 10.7270/Q2X067DJ
					More data for this Ligand-Target Pair