Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50018091   

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
Prostacyclin receptor (Homo sapiens (Human))	BDBM50136234 (CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...) Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15| Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]iloprost from cloned human PGI2 receptor				Bioorg Med Chem Lett 16: 4861-4 (2006) Article DOI: 10.1016/j.bmcl.2006.06.076 BindingDB Entry DOI: 10.7270/Q2R49QD9
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50191133 (CHEMBL439357 | sodium (R)-2-(3-((2-(4,5-diphenylox...) Show SMILES [O-]C(=O)COc1cccc(CN2CCC[C@@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 Show InChI InChI=1S/C28H26N2O4/c31-25(32)19-33-23-14-7-9-20(17-23)18-30-16-8-15-24(30)28-29-26(21-10-3-1-4-11-21)27(34-28)22-12-5-2-6-13-22/h1-7,9-14,17,24H,8,15-16,18-19H2,(H,31,32)/p-1/t24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]iloprost from cloned human PGI2 receptor				Bioorg Med Chem Lett 16: 4861-4 (2006) Article DOI: 10.1016/j.bmcl.2006.06.076 BindingDB Entry DOI: 10.7270/Q2R49QD9
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50191135 (CHEMBL215442 | sodium 2-(3-(((1S,2R)-2-(4,5-diphen...) Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCC[C@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 Show InChI InChI=1S/C29H27NO4/c31-26(32)19-33-24-15-7-9-20(18-24)17-23-14-8-16-25(23)29-30-27(21-10-3-1-4-11-21)28(34-29)22-12-5-2-6-13-22/h1-7,9-13,15,18,23,25H,8,14,16-17,19H2,(H,31,32)/p-1/t23-,25+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation				Bioorg Med Chem Lett 16: 4861-4 (2006) Article DOI: 10.1016/j.bmcl.2006.06.076 BindingDB Entry DOI: 10.7270/Q2R49QD9
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50191133 (CHEMBL439357 | sodium (R)-2-(3-((2-(4,5-diphenylox...) Show SMILES [O-]C(=O)COc1cccc(CN2CCC[C@@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 Show InChI InChI=1S/C28H26N2O4/c31-25(32)19-33-23-14-7-9-20(17-23)18-30-16-8-15-24(30)28-29-26(21-10-3-1-4-11-21)27(34-28)22-12-5-2-6-13-22/h1-7,9-14,17,24H,8,15-16,18-19H2,(H,31,32)/p-1/t24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation				Bioorg Med Chem Lett 16: 4861-4 (2006) Article DOI: 10.1016/j.bmcl.2006.06.076 BindingDB Entry DOI: 10.7270/Q2R49QD9
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50191134 (CHEMBL379203 | sodium 2-(3-(((1S,2S)-2-(4,5-diphen...) Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCC[C@@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 Show InChI InChI=1S/C29H27NO4/c31-26(32)19-33-24-15-7-9-20(18-24)17-23-14-8-16-25(23)29-30-27(21-10-3-1-4-11-21)28(34-29)22-12-5-2-6-13-22/h1-7,9-13,15,18,23,25H,8,14,16-17,19H2,(H,31,32)/p-1/t23-,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation				Bioorg Med Chem Lett 16: 4861-4 (2006) Article DOI: 10.1016/j.bmcl.2006.06.076 BindingDB Entry DOI: 10.7270/Q2R49QD9
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50191132 (CHEMBL438092 | sodium (S)-2-(3-((2-(4,5-diphenylox...) Show SMILES [O-]C(=O)COc1cccc(CN2CCC[C@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 Show InChI InChI=1S/C28H26N2O4/c31-25(32)19-33-23-14-7-9-20(17-23)18-30-16-8-15-24(30)28-29-26(21-10-3-1-4-11-21)27(34-28)22-12-5-2-6-13-22/h1-7,9-14,17,24H,8,15-16,18-19H2,(H,31,32)/p-1/t24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation				Bioorg Med Chem Lett 16: 4861-4 (2006) Article DOI: 10.1016/j.bmcl.2006.06.076 BindingDB Entry DOI: 10.7270/Q2R49QD9
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50136234 (CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...) Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15| Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation				Bioorg Med Chem Lett 16: 4861-4 (2006) Article DOI: 10.1016/j.bmcl.2006.06.076 BindingDB Entry DOI: 10.7270/Q2R49QD9
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50191137 (CHEMBL212943 | sodium 2-(3-(((1S,2R)-2-(4,5-diphen...) Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC[C@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 Show InChI InChI=1S/C30H29NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16,19,24,26H,7-8,15,17-18,20H2,(H,32,33)/p-1/t24-,26+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation				Bioorg Med Chem Lett 16: 4861-4 (2006) Article DOI: 10.1016/j.bmcl.2006.06.076 BindingDB Entry DOI: 10.7270/Q2R49QD9
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50191138 (CHEMBL405770 | sodium 2-(3-(((1S,2S)-2-(4,5-diphen...) Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC[C@@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 Show InChI InChI=1S/C30H29NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16,19,24,26H,7-8,15,17-18,20H2,(H,32,33)/p-1/t24-,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation				Bioorg Med Chem Lett 16: 4861-4 (2006) Article DOI: 10.1016/j.bmcl.2006.06.076 BindingDB Entry DOI: 10.7270/Q2R49QD9
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50136237 (CHEMBL132649 | Sodium; {3-[2-(4,5-diphenyl-oxazol-...) Show SMILES [O-]C(=O)COc1cccc(CC2=C(CCCC2)c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |t:11| Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16,19H,7-8,15,17-18,20H2,(H,32,33)/p-1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	533	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation				Bioorg Med Chem Lett 16: 4861-4 (2006) Article DOI: 10.1016/j.bmcl.2006.06.076 BindingDB Entry DOI: 10.7270/Q2R49QD9
					More data for this Ligand-Target Pair
Prostacyclin receptor (RAT)	BDBM50191133 (CHEMBL439357 | sodium (R)-2-(3-((2-(4,5-diphenylox...) Show SMILES [O-]C(=O)COc1cccc(CN2CCC[C@@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 Show InChI InChI=1S/C28H26N2O4/c31-25(32)19-33-23-14-7-9-20(17-23)18-30-16-8-15-24(30)28-29-26(21-10-3-1-4-11-21)27(34-28)22-12-5-2-6-13-22/h1-7,9-14,17,24H,8,15-16,18-19H2,(H,31,32)/p-1/t24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at rat PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation				Bioorg Med Chem Lett 16: 4861-4 (2006) Article DOI: 10.1016/j.bmcl.2006.06.076 BindingDB Entry DOI: 10.7270/Q2R49QD9
					More data for this Ligand-Target Pair
Prostacyclin receptor (Homo sapiens (Human))	BDBM50191136 (CHEMBL386580 | sodium 2-(3-(2-(4,5-diphenyloxazol-...) Show SMILES [O-]C(=O)COc1cccc(Cc2ccccc2-c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 Show InChI InChI=1S/C30H23NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-17,19H,18,20H2,(H,32,33)/p-1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation				Bioorg Med Chem Lett 16: 4861-4 (2006) Article DOI: 10.1016/j.bmcl.2006.06.076 BindingDB Entry DOI: 10.7270/Q2R49QD9
					More data for this Ligand-Target Pair
Prostacyclin receptor (RAT)	BDBM50136234 (CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...) Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15| Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at rat PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation				Bioorg Med Chem Lett 16: 4861-4 (2006) Article DOI: 10.1016/j.bmcl.2006.06.076 BindingDB Entry DOI: 10.7270/Q2R49QD9
					More data for this Ligand-Target Pair
Prostacyclin receptor (RAT)	BDBM50191132 (CHEMBL438092 | sodium (S)-2-(3-((2-(4,5-diphenylox...) Show SMILES [O-]C(=O)COc1cccc(CN2CCC[C@H]2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 Show InChI InChI=1S/C28H26N2O4/c31-25(32)19-33-23-14-7-9-20(17-23)18-30-16-8-15-24(30)28-29-26(21-10-3-1-4-11-21)27(34-28)22-12-5-2-6-13-22/h1-7,9-14,17,24H,8,15-16,18-19H2,(H,31,32)/p-1/t24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at rat PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation				Bioorg Med Chem Lett 16: 4861-4 (2006) Article DOI: 10.1016/j.bmcl.2006.06.076 BindingDB Entry DOI: 10.7270/Q2R49QD9
					More data for this Ligand-Target Pair