Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1687   

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 EP3 subtype (Homo sapiens (Human))	BDBM335698 ((R)-3-(3-Methyl-2-oxopiperidin-3-yl)-6-(5-methylqu...) Show SMILES Cc1cccc2ncc(cc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O Show InChI InChI=1S/C21H21N3O2/c1-13-5-3-6-18-15(13)11-14(12-23-18)17-8-7-16(19(25)24-17)21(2)9-4-10-22-20(21)26/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,22,26)(H,24,25)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize P...				US Patent US9738626 (2017) BindingDB Entry DOI: 10.7270/Q2CF9S7K
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM335700 ((R)-6-(5-Ethylquinolin-7-yl)-3-(3-methyl-2-oxopipe...) Show SMILES CCc1cc(cc2ncccc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O Show InChI InChI=1S/C22H23N3O2/c1-3-14-12-15(13-19-16(14)6-4-10-23-19)18-8-7-17(20(26)25-18)22(2)9-5-11-24-21(22)27/h4,6-8,10,12-13H,3,5,9,11H2,1-2H3,(H,24,27)(H,25,26)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize P...				US Patent US9738626 (2017) BindingDB Entry DOI: 10.7270/Q2CF9S7K
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM335699 ((R)-3-(3-Methyl-2-oxopiperidin-3-yl)-6-(5-methylqu...) Show SMILES Cc1cc(cc2ncccc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O Show InChI InChI=1S/C21H21N3O2/c1-13-11-14(12-18-15(13)5-3-9-22-18)17-7-6-16(19(25)24-17)21(2)8-4-10-23-20(21)26/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,23,26)(H,24,25)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize P...				US Patent US9738626 (2017) BindingDB Entry DOI: 10.7270/Q2CF9S7K
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM335702 ((R)-6-(5-Cyclopropylquinolin-7-yl)-3-(3-methyl-2-o...) Show SMILES C[C@@]1(CCCNC1=O)c1ccc([nH]c1=O)-c1cc(C2CC2)c2cccnc2c1 Show InChI InChI=1S/C23H23N3O2/c1-23(9-3-11-25-22(23)28)18-7-8-19(26-21(18)27)15-12-17(14-5-6-14)16-4-2-10-24-20(16)13-15/h2,4,7-8,10,12-14H,3,5-6,9,11H2,1H3,(H,25,28)(H,26,27)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize P...				US Patent US9738626 (2017) BindingDB Entry DOI: 10.7270/Q2CF9S7K
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM335701 ((R)-6-(5-Chloroquinolin-7-yl)-3-(3-methyl-2-oxopip...) Show SMILES C[C@@]1(CCCNC1=O)c1ccc([nH]c1=O)-c1cc(Cl)c2cccnc2c1 Show InChI InChI=1S/C20H18ClN3O2/c1-20(7-3-9-23-19(20)26)14-5-6-16(24-18(14)25)12-10-15(21)13-4-2-8-22-17(13)11-12/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,23,26)(H,24,25)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize P...				US Patent US9738626 (2017) BindingDB Entry DOI: 10.7270/Q2CF9S7K
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM335704 ((R)-3-(3-Methyl-2-oxopyrrolidin-3-yl)-6-(5-methylq...) Show SMILES Cc1cccc2ncc(cc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCNC1=O Show InChI InChI=1S/C20H19N3O2/c1-12-4-3-5-17-14(12)10-13(11-22-17)16-7-6-15(18(24)23-16)20(2)8-9-21-19(20)25/h3-7,10-11H,8-9H2,1-2H3,(H,21,25)(H,23,24)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize P...				US Patent US9738626 (2017) BindingDB Entry DOI: 10.7270/Q2CF9S7K
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM335703 ((R)-3-(6-(5-fluoroquinolin-7-yl)-2-hydroxypyridin-...) Show SMILES C[C@@]1(CCCNC1=O)c1ccc(nc1O)-c1cc(F)c2cccnc2c1 Show InChI InChI=1S/C20H18FN3O2/c1-20(7-3-9-23-19(20)26)14-5-6-16(24-18(14)25)12-10-15(21)13-4-2-8-22-17(13)11-12/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,23,26)(H,24,25)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	48.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize P...				US Patent US9738626 (2017) BindingDB Entry DOI: 10.7270/Q2CF9S7K
					More data for this Ligand-Target Pair