Compile Data Set for Download or QSAR

Found 120 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7312   

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))	BDBM189204 (US9169270, 76) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cccc(F)c1 Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-4-5-18(30-11-19(27)28)16(9-14)20-21-17(25-12-32-21)6-7-26(20)22(29)31-10-13-2-1-3-15(24)8-13/h1-5,8-9,12,20H,6-7,10-11H2,(H,27,28)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189201 (US9169270, 73) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1c(F)cccc1F Show InChI InChI=1S/C22H17ClF2N2O5S/c23-12-4-5-18(31-10-19(28)29)13(8-12)20-21-17(26-11-33-21)6-7-27(20)22(30)32-9-14-15(24)2-1-3-16(14)25/h1-5,8,11,20H,6-7,9-10H2,(H,28,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189192 (US9169270, 64) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cc(F)ccc1Cl Show InChI InChI=1S/C22H17Cl2FN2O5S/c23-13-1-4-18(31-10-19(28)29)15(8-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-7-14(25)2-3-16(12)24/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189187 (US9169270, 59) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1ccc(F)cc1F Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-2-4-18(31-10-19(28)29)15(7-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-1-3-14(24)8-16(12)25/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189195 (US9169270, 67) Show SMILES CC(C)CCOC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(O)=O Show InChI InChI=1S/C20H23ClN2O5S/c1-12(2)6-8-27-20(26)23-7-5-15-19(29-11-22-15)18(23)14-9-13(21)3-4-16(14)28-10-17(24)25/h3-4,9,11-12,18H,5-8,10H2,1-2H3,(H,24,25)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189196 (US9169270, 68) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cc(Cl)ccc1F Show InChI InChI=1S/C22H17Cl2FN2O5S/c23-13-1-3-16(25)12(7-13)9-32-22(30)27-6-5-17-21(33-11-26-17)20(27)15-8-14(24)2-4-18(15)31-10-19(28)29/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189199 (US9169270, 71) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cccc(F)c1F Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-4-5-17(31-10-18(28)29)14(8-13)20-21-16(26-11-33-21)6-7-27(20)22(30)32-9-12-2-1-3-15(24)19(12)25/h1-5,8,11,20H,6-7,9-10H2,(H,28,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189203 (US9169270, 75) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1ccccc1F Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-5-6-18(30-11-19(27)28)15(9-14)20-21-17(25-12-32-21)7-8-26(20)22(29)31-10-13-3-1-2-4-16(13)24/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189194 (US9169270, 66) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCC1CCCCC1 Show InChI InChI=1S/C22H25ClN2O5S/c23-15-6-7-18(29-12-19(26)27)16(10-15)20-21-17(24-13-31-21)8-9-25(20)22(28)30-11-14-4-2-1-3-5-14/h6-7,10,13-14,20H,1-5,8-9,11-12H2,(H,26,27)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189191 (US9169270, 63) Show SMILES Cc1ccc(COC(=O)N2CCc3ncsc3[C@H]2c2cc(Cl)ccc2OCC(O)=O)c(C)c1 Show InChI InChI=1S/C24H23ClN2O5S/c1-14-3-4-16(15(2)9-14)11-32-24(30)27-8-7-19-23(33-13-26-19)22(27)18-10-17(25)5-6-20(18)31-12-21(28)29/h3-6,9-10,13,22H,7-8,11-12H2,1-2H3,(H,28,29)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189186 (US9169270, 58) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cc(F)ccc1F Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-1-4-18(31-10-19(28)29)15(8-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-7-14(24)2-3-16(12)25/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189200 (US9169270, 72) Show SMILES Cc1cccc(COC(=O)N2CCc3ncsc3[C@H]2c2cc(Cl)ccc2OCC(O)=O)c1C Show InChI InChI=1S/C24H23ClN2O5S/c1-14-4-3-5-16(15(14)2)11-32-24(30)27-9-8-19-23(33-13-26-19)22(27)18-10-17(25)6-7-20(18)31-12-21(28)29/h3-7,10,13,22H,8-9,11-12H2,1-2H3,(H,28,29)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189189 (US9169270, 61) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1ccc(F)cc1 Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-3-6-18(30-11-19(27)28)16(9-14)20-21-17(25-12-32-21)7-8-26(20)22(29)31-10-13-1-4-15(24)5-2-13/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189209 (US9169270, 81) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1cccc(Cl)c1Cl Show InChI InChI=1S/C22H17Cl3N2O5S/c23-13-4-5-17(31-10-18(28)29)14(8-13)20-21-16(26-11-33-21)6-7-27(20)22(30)32-9-12-2-1-3-15(24)19(12)25/h1-5,8,11,20H,6-7,9-10H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189221 (US9169270, 93) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1cc(F)ccc1F Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-1-4-18(31-10-19(28)29)15(8-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-7-14(24)2-3-16(12)25/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189193 (US9169270, 65) Show SMILES CC(C)(C)CCOC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(O)=O Show InChI InChI=1S/C21H25ClN2O5S/c1-21(2,3)7-9-28-20(27)24-8-6-15-19(30-12-23-15)18(24)14-10-13(22)4-5-16(14)29-11-17(25)26/h4-5,10,12,18H,6-9,11H2,1-3H3,(H,25,26)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189202 (US9169270, 74) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCCCF Show InChI InChI=1S/C18H18ClFN2O5S/c19-11-2-3-14(27-9-15(23)24)12(8-11)16-17-13(21-10-28-17)4-6-22(16)18(25)26-7-1-5-20/h2-3,8,10,16H,1,4-7,9H2,(H,23,24)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189138 (US9169270, 10) Show SMILES Cc1nc2CCN([C@@H](c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)[C@@H]1C[C@H]1c1ccccc1 Show InChI InChI=1S/C25H23ClN2O4S/c1-14-27-20-9-10-28(25(31)18-12-17(18)15-5-3-2-4-6-15)23(24(20)33-14)19-11-16(26)7-8-21(19)32-13-22(29)30/h2-8,11,17-18,23H,9-10,12-13H2,1H3,(H,29,30)/t17-,18+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189218 (US9169270, 90) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCn1ncc2ccccc12 Show InChI InChI=1S/C23H19ClN4O5S/c24-15-5-6-19(32-11-20(29)30)16(9-15)21-22-17(25-12-34-22)7-8-27(21)23(31)33-13-28-18-4-2-1-3-14(18)10-26-28/h1-6,9-10,12,21H,7-8,11,13H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189214 (US9169270, 86) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccc(Cl)cc1 Show InChI InChI=1S/C22H18Cl2N2O5S/c23-14-3-1-13(2-4-14)10-31-22(29)26-8-7-17-21(32-12-25-17)20(26)16-9-15(24)5-6-18(16)30-11-19(27)28/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189208 (US9169270, 80) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccc(F)cc1 Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-3-6-18(30-11-19(27)28)16(9-14)20-21-17(25-12-32-21)7-8-26(20)22(29)31-10-13-1-4-15(24)5-2-13/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189188 (US9169270, 60) Show SMILES CCC(C)(C)COC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(O)=O Show InChI InChI=1S/C21H25ClN2O5S/c1-4-21(2,3)11-29-20(27)24-8-7-15-19(30-12-23-15)18(24)14-9-13(22)5-6-16(14)28-10-17(25)26/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3,(H,25,26)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189217 (US9169270, 89) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1c(F)cccc1F Show InChI InChI=1S/C22H17ClF2N2O5S/c23-12-4-5-18(31-10-19(28)29)13(8-12)20-21-17(26-11-33-21)6-7-27(20)22(30)32-9-14-15(24)2-1-3-16(14)25/h1-5,8,11,20H,6-7,9-10H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189145 (US9169270, 17) Show SMILES Nc1nc2CCN(C(c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H20ClN3O5S/c23-14-6-7-17(30-12-18(27)28)15(10-14)19-20-16(25-21(24)32-20)8-9-26(19)22(29)31-11-13-4-2-1-3-5-13/h1-7,10,19H,8-9,11-12H2,(H2,24,25)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189220 (US9169270, 92) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1cc(F)ccc1Cl Show InChI InChI=1S/C22H17Cl2FN2O5S/c23-13-1-4-18(31-10-19(28)29)15(8-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-7-14(25)2-3-16(12)24/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189205 (US9169270, 77) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCCc1cccc(F)c1 Show InChI InChI=1S/C23H20ClFN2O5S/c24-15-4-5-19(32-12-20(28)29)17(11-15)21-22-18(26-13-33-22)6-8-27(21)23(30)31-9-7-14-2-1-3-16(25)10-14/h1-5,10-11,13,21H,6-9,12H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189231 (US9169270, 103) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H19ClN2O5S/c23-15-6-7-18(29-12-19(26)27)16(10-15)20-21-17(24-13-31-21)8-9-25(20)22(28)30-11-14-4-2-1-3-5-14/h1-7,10,13,20H,8-9,11-12H2,(H,26,27)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189249 (US9169270, 5) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)[C@@H]1C[C@H]1c1ccccc1 Show InChI InChI=1S/C24H21ClN2O4S/c25-15-6-7-20(31-12-21(28)29)18(10-15)22-23-19(26-13-32-23)8-9-27(22)24(30)17-11-16(17)14-4-2-1-3-5-14/h1-7,10,13,16-17,22H,8-9,11-12H2,(H,28,29)/t16-,17+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189211 (US9169270, 83) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccc(F)cc1F Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-2-4-18(31-10-19(28)29)15(7-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-1-3-14(24)8-16(12)25/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189135 (US9169270, 7) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1 Show InChI InChI=1S/C24H20ClFN2O4S/c25-14-4-5-20(32-11-21(29)30)18(9-14)22-23-19(27-12-33-23)6-7-28(22)24(31)17-10-16(17)13-2-1-3-15(26)8-13/h1-5,8-9,12,16-17,22H,6-7,10-11H2,(H,29,30)/t16-,17+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189198 (US9169270, 70) Show SMILES CCC(C)COC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(O)=O Show InChI InChI=1S/C20H23ClN2O5S/c1-3-12(2)9-28-20(26)23-7-6-15-19(29-11-22-15)18(23)14-8-13(21)4-5-16(14)27-10-17(24)25/h4-5,8,11-12,18H,3,6-7,9-10H2,1-2H3,(H,24,25)/t12?,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189148 (US9169270, 20) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2nc(Br)sc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H18BrClN2O5S/c23-21-25-16-8-9-26(22(29)31-11-13-4-2-1-3-5-13)19(20(16)32-21)15-10-14(24)6-7-17(15)30-12-18(27)28/h1-7,10,19H,8-9,11-12H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189207 (US9169270, 79) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccccc1F Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-5-6-18(30-11-19(27)28)15(9-14)20-21-17(25-12-32-21)7-8-26(20)22(29)31-10-13-3-1-2-4-16(13)24/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189234 (US9169270, 106) Show SMILES OC(=O)COc1ccc(cc1C1N(CCc2ncsc12)C(=O)OCc1ccccc1)C#N Show InChI InChI=1S/C23H19N3O5S/c24-11-16-6-7-19(30-13-20(27)28)17(10-16)21-22-18(25-14-32-22)8-9-26(21)23(29)31-12-15-4-2-1-3-5-15/h1-7,10,14,21H,8-9,12-13H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189212 (US9169270, 84) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccccc1Cl Show InChI InChI=1S/C22H18Cl2N2O5S/c23-14-5-6-18(30-11-19(27)28)15(9-14)20-21-17(25-12-32-21)7-8-26(20)22(29)31-10-13-3-1-2-4-16(13)24/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189185 (US9169270, 57) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)\C=C\c1ccc(F)cc1F Show InChI InChI=1S/C23H17ClF2N2O4S/c24-14-3-5-19(32-11-21(30)31)16(9-14)22-23-18(27-12-33-23)7-8-28(22)20(29)6-2-13-1-4-15(25)10-17(13)26/h1-6,9-10,12,22H,7-8,11H2,(H,30,31)/b6-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189233 (US9169270, 105) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H19ClN2O5S/c23-15-6-7-18(29-12-19(26)27)16(10-15)20-21-17(24-13-31-21)8-9-25(20)22(28)30-11-14-4-2-1-3-5-14/h1-7,10,13,20H,8-9,11-12H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189219 (US9169270, 91) Show SMILES CCn1nc(C)cc1CCOC(=O)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(O)=O Show InChI InChI=1S/C23H25ClN4O5S/c1-3-28-16(10-14(2)26-28)7-9-32-23(31)27-8-6-18-22(34-13-25-18)21(27)17-11-15(24)4-5-19(17)33-12-20(29)30/h4-5,10-11,13,21H,3,6-9,12H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189150 (US9169270, 22) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@@H]1N(CCc2ncsc12)C(=O)C1CC1c1ccccc1 Show InChI InChI=1S/C24H21ClN2O4S/c25-15-6-7-20(31-12-21(28)29)18(10-15)22-23-19(26-13-32-23)8-9-27(22)24(30)17-11-16(17)14-4-2-1-3-5-14/h1-7,10,13,16-17,22H,8-9,11-12H2,(H,28,29)/t16?,17?,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189197 (US9169270, 69) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCC1CCC1 Show InChI InChI=1S/C20H21ClN2O5S/c21-13-4-5-16(27-10-17(24)25)14(8-13)18-19-15(22-11-29-19)6-7-23(18)20(26)28-9-12-2-1-3-12/h4-5,8,11-12,18H,1-3,6-7,9-10H2,(H,24,25)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189206 (US9169270, 78) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1cccc(F)c1 Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-4-5-18(30-11-19(27)28)16(9-14)20-21-17(25-12-32-21)6-7-26(20)22(29)31-10-13-2-1-3-15(24)8-13/h1-5,8-9,12,20H,6-7,10-11H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189147 (US9169270, 19) Show SMILES Cc1nc2CCN([C@@H](c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C23H21ClN2O5S/c1-14-25-18-9-10-26(23(29)31-12-15-5-3-2-4-6-15)21(22(18)32-14)17-11-16(24)7-8-19(17)30-13-20(27)28/h2-8,11,21H,9-10,12-13H2,1H3,(H,27,28)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.71	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189190 (US9169270, 62) Show SMILES COC(C)(C)CCOC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(O)=O Show InChI InChI=1S/C21H25ClN2O6S/c1-21(2,28-3)7-9-29-20(27)24-8-6-15-19(31-12-23-15)18(24)14-10-13(22)4-5-16(14)30-11-17(25)26/h4-5,10,12,18H,6-9,11H2,1-3H3,(H,25,26)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189136 (US9169270, 8) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 Show InChI InChI=1S/C24H20ClFN2O4S/c25-14-3-6-20(32-11-21(29)30)18(9-14)22-23-19(27-12-33-23)7-8-28(22)24(31)17-10-16(17)13-1-4-15(26)5-2-13/h1-6,9,12,16-17,22H,7-8,10-11H2,(H,29,30)/t16-,17+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189159 (US9169270, 31) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)COCc1ccccc1Cl Show InChI InChI=1S/C23H20Cl2N2O5S/c24-15-5-6-19(32-12-21(29)30)16(9-15)22-23-18(26-13-33-23)7-8-27(22)20(28)11-31-10-14-3-1-2-4-17(14)25/h1-6,9,13,22H,7-8,10-12H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189225 (US9169270, 97) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)OCc1nc2ccccc2o1 Show InChI InChI=1S/C23H18ClN3O6S/c24-13-5-6-17(31-11-20(28)29)14(9-13)21-22-16(25-12-34-22)7-8-27(21)23(30)32-10-19-26-15-3-1-2-4-18(15)33-19/h1-6,9,12,21H,7-8,10-11H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189237 (US9169270, 109) Show SMILES COc1ccccc1CNC(=O)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(O)=O Show InChI InChI=1S/C23H22ClN3O5S/c1-31-18-5-3-2-4-14(18)11-25-23(30)27-9-8-17-22(33-13-26-17)21(27)16-10-15(24)6-7-19(16)32-12-20(28)29/h2-7,10,13,21H,8-9,11-12H2,1H3,(H,25,30)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189235 (US9169270, 107) Show SMILES OC(=O)COc1ccc(Cl)cc1C1N(CCc2ncsc12)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C23H22ClN3O4S/c24-16-6-7-19(31-13-20(28)29)17(12-16)21-22-18(26-14-32-22)9-11-27(21)23(30)25-10-8-15-4-2-1-3-5-15/h1-7,12,14,21H,8-11,13H2,(H,25,30)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189229 (US9169270, 101) Show SMILES Cc1cccc(COC(=O)N2CCc3ncsc3C2c2cc(Cl)ccc2OCC(O)=O)c1C Show InChI InChI=1S/C24H23ClN2O5S/c1-14-4-3-5-16(15(14)2)11-32-24(30)27-9-8-19-23(33-13-26-19)22(27)18-10-17(25)6-7-20(18)31-12-21(28)29/h3-7,10,13,22H,8-9,11-12H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189143 (US9169270, 15) Show SMILES Cc1nc2CCN(C(c2s1)c1cc(Cl)ccc1OCC(O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C23H21ClN2O5S/c1-14-25-18-9-10-26(23(29)31-12-15-5-3-2-4-6-15)21(22(18)32-14)17-11-16(24)7-8-19(17)30-13-20(27)28/h2-8,11,21H,9-10,12-13H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair

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