Compile Data Set for Download or QSAR

Found 449 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7610   

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))	BDBM205858 (US9255090, 327) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1CCOc2cc(F)ccc12 Show InChI InChI=1S/C30H29F2NO5/c1-2-37-27-13-18(14-30(35)36)3-5-24(27)22-7-8-26(32)23-9-11-33(17-25(22)23)29(34)15-19-10-12-38-28-16-20(31)4-6-21(19)28/h3-8,13,16,19H,2,9-12,14-15,17H2,1H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205626 (US9255090, 95) Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)C1CC1c1ccccc1C(F)(F)F Show InChI InChI=1S/C29H25F4NO4/c1-38-26-9-6-16(13-27(35)36)12-21(26)17-7-8-25(30)19-10-11-34(15-23(17)19)28(37)22-14-20(22)18-4-2-3-5-24(18)29(31,32)33/h2-9,12,20,22H,10-11,13-15H2,1H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205728 (US9255090, 197) Show SMILES CCCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C28H28FNO5/c1-2-14-34-26-11-8-20(16-27(31)32)15-23(26)21-9-10-25(29)22-12-13-30(17-24(21)22)28(33)35-18-19-6-4-3-5-7-19/h3-11,15H,2,12-14,16-18H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205727 (US9255090, 196) Show SMILES OC(=O)Cc1ccc(OCC2CC2)c(c1)-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C29H28FNO5/c30-26-10-9-22(24-14-21(15-28(32)33)8-11-27(24)35-17-20-6-7-20)25-16-31(13-12-23(25)26)29(34)36-18-19-4-2-1-3-5-19/h1-5,8-11,14,20H,6-7,12-13,15-18H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205768 (US9255090, 237) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC(C)(C)c1ccc(F)cc1 Show InChI InChI=1S/C30H31F2NO4/c1-4-37-27-15-19(16-29(35)36)5-10-24(27)22-11-12-26(32)23-13-14-33(18-25(22)23)28(34)17-30(2,3)20-6-8-21(31)9-7-20/h5-12,15H,4,13-14,16-18H2,1-3H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205766 (US9255090, 235) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1COc2ccccc12 Show InChI InChI=1S/C29H28FNO5/c1-2-35-27-13-18(14-29(33)34)7-8-23(27)21-9-10-25(30)22-11-12-31(16-24(21)22)28(32)15-19-17-36-26-6-4-3-5-20(19)26/h3-10,13,19H,2,11-12,14-17H2,1H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205714 (US9255090, 183) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CCc1cn(C)c2ccccc12 Show InChI InChI=1S/C30H29FN2O4/c1-32-17-20(21-5-3-4-6-27(21)32)8-12-29(34)33-14-13-23-25(18-33)22(10-11-26(23)31)24-9-7-19(16-30(35)36)15-28(24)37-2/h3-7,9-11,15,17H,8,12-14,16,18H2,1-2H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205730 (US9255090, 199) Show SMILES COCCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C28H28FNO6/c1-34-13-14-35-26-10-7-20(16-27(31)32)15-23(26)21-8-9-25(29)22-11-12-30(17-24(21)22)28(33)36-18-19-5-3-2-4-6-19/h2-10,15H,11-14,16-18H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205880 (US9255090, 349) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CCc1ccccn1 Show InChI InChI=1S/C27H27FN2O4/c1-2-34-25-15-18(16-27(32)33)6-8-22(25)20-9-10-24(28)21-12-14-30(17-23(20)21)26(31)11-7-19-5-3-4-13-29-19/h3-6,8-10,13,15H,2,7,11-12,14,16-17H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205719 (US9255090, 188) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC(C)(C)c1ccccc1 Show InChI InChI=1S/C29H30FNO4/c1-29(2,20-7-5-4-6-8-20)17-27(32)31-14-13-22-24(18-31)21(11-12-25(22)30)23-10-9-19(16-28(33)34)15-26(23)35-3/h4-12,15H,13-14,16-18H2,1-3H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.530	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205763 (US9255090, 232) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1COCc2ccccc12 Show InChI InChI=1S/C30H30FNO5/c1-2-37-28-13-19(14-30(34)35)7-8-25(28)23-9-10-27(31)24-11-12-32(16-26(23)24)29(33)15-21-18-36-17-20-5-3-4-6-22(20)21/h3-10,13,21H,2,11-12,14-18H2,1H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205769 (US9255090, 238) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC(C)(C)c1ccccc1 Show InChI InChI=1S/C30H32FNO4/c1-4-36-27-16-20(17-29(34)35)10-11-24(27)22-12-13-26(31)23-14-15-32(19-25(22)23)28(33)18-30(2,3)21-8-6-5-7-9-21/h5-13,16H,4,14-15,17-19H2,1-3H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205861 (US9255090, 330) Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)C1CC1c1ccccn1 Show InChI InChI=1S/C28H27FN2O4/c1-2-35-26-9-6-17(14-27(32)33)13-21(26)18-7-8-24(29)19-10-12-31(16-23(18)19)28(34)22-15-20(22)25-5-3-4-11-30-25/h3-9,11,13,20,22H,2,10,12,14-16H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205731 (US9255090, 200 | US9255090, 201 | US9255090, 359) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1CCOc2ccccc12 Show InChI InChI=1S/C29H28FNO5/c1-35-27-14-18(15-29(33)34)6-7-23(27)21-8-9-25(30)22-10-12-31(17-24(21)22)28(32)16-19-11-13-36-26-5-3-2-4-20(19)26/h2-9,14,19H,10-13,15-17H2,1H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205902 (US9255090, 371) Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)OCc1cccc(C)n1 Show InChI InChI=1S/C27H27FN2O5/c1-3-34-25-10-7-18(14-26(31)32)13-22(25)20-8-9-24(28)21-11-12-30(15-23(20)21)27(33)35-16-19-6-4-5-17(2)29-19/h4-10,13H,3,11-12,14-16H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205691 (US9255090, 160) Show SMILES OC(=O)COc1ccc(OC(F)(F)F)c(c1)-c1ccc(F)c2CCN(Cc12)C(=O)[C@@H]1C[C@H]1c1ccccc1 Show InChI InChI=1S/C28H23F4NO5/c29-24-8-7-18(21-12-17(37-15-26(34)35)6-9-25(21)38-28(30,31)32)23-14-33(11-10-19(23)24)27(36)22-13-20(22)16-4-2-1-3-5-16/h1-9,12,20,22H,10-11,13-15H2,(H,34,35)/t20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.670	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205723 (US9255090, 192) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CCOc1ccc(F)cc1 Show InChI InChI=1S/C27H25F2NO5/c1-34-25-14-17(15-27(32)33)2-7-22(25)20-8-9-24(29)21-10-12-30(16-23(20)21)26(31)11-13-35-19-5-3-18(28)4-6-19/h2-9,14H,10-13,15-16H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.690	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205965 (US9255090, 434) Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C27H26F2N2O4/c1-2-35-25-10-5-18(14-26(32)33)13-22(25)20-8-9-24(29)21-11-12-31(16-23(20)21)27(34)30-15-17-3-6-19(28)7-4-17/h3-10,13H,2,11-12,14-16H2,1H3,(H,30,34)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205736 (US9255090, 205 | US9255090, 206 | US9255090, 229) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1OCCc2ccccc12 Show InChI InChI=1S/C30H30FNO5/c1-2-36-27-15-19(16-30(34)35)7-8-24(27)22-9-10-26(31)23-11-13-32(18-25(22)23)29(33)17-28-21-6-4-3-5-20(21)12-14-37-28/h3-10,15,28H,2,11-14,16-18H2,1H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205725 (US9255090, 194) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CCc1ccccc1C Show InChI InChI=1S/C28H28FNO4/c1-18-5-3-4-6-20(18)8-12-27(31)30-14-13-22-24(17-30)21(10-11-25(22)29)23-9-7-19(16-28(32)33)15-26(23)34-2/h3-7,9-11,15H,8,12-14,16-17H2,1-2H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.75	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205827 (US9255090, 296) Show SMILES CC(C)Oc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1COCc2ccccc12 Show InChI InChI=1S/C31H32FNO5/c1-19(2)38-29-10-7-20(14-31(35)36)13-26(29)24-8-9-28(32)25-11-12-33(16-27(24)25)30(34)15-22-18-37-17-21-5-3-4-6-23(21)22/h3-10,13,19,22H,11-12,14-18H2,1-2H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205767 (US9255090, 236) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1CCOc2ccccc12 Show InChI InChI=1S/C30H30FNO5/c1-2-36-28-15-19(16-30(34)35)7-8-24(28)22-9-10-26(31)23-11-13-32(18-25(22)23)29(33)17-20-12-14-37-27-6-4-3-5-21(20)27/h3-10,15,20H,2,11-14,16-18H2,1H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205944 (US9255090, 413) Show SMILES OC(=O)Cc1ccc(OCC(F)F)c(c1)-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H24F3NO5/c28-23-8-7-19(21-12-18(13-26(32)33)6-9-24(21)35-16-25(29)30)22-14-31(11-10-20(22)23)27(34)36-15-17-4-2-1-3-5-17/h1-9,12,25H,10-11,13-16H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205921 (US9255090, 390) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)OCc1cccc(C)n1 Show InChI InChI=1S/C27H27FN2O5/c1-3-34-25-13-18(14-26(31)32)7-8-22(25)20-9-10-24(28)21-11-12-30(15-23(20)21)27(33)35-16-19-6-4-5-17(2)29-19/h4-10,13H,3,11-12,14-16H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205718 (US9255090, 187) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CCCc1ccccc1 Show InChI InChI=1S/C28H28FNO4/c1-34-26-16-20(17-28(32)33)10-11-23(26)21-12-13-25(29)22-14-15-30(18-24(21)22)27(31)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-13,16H,5,8-9,14-15,17-18H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.890	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205875 (US9255090, 344) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC(C)c1ccccn1 Show InChI InChI=1S/C28H29FN2O4/c1-3-35-26-15-19(16-28(33)34)7-8-22(26)20-9-10-24(29)21-11-13-31(17-23(20)21)27(32)14-18(2)25-6-4-5-12-30-25/h4-10,12,15,18H,3,11,13-14,16-17H2,1-2H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205715 (US9255090, 184) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)[C@@H]1C[C@H]1c1ccccc1 Show InChI InChI=1S/C28H26FNO4/c1-34-26-13-17(14-27(31)32)7-8-21(26)19-9-10-25(29)20-11-12-30(16-24(19)20)28(33)23-15-22(23)18-5-3-2-4-6-18/h2-10,13,22-23H,11-12,14-16H2,1H3,(H,31,32)/t22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205738 (US9255090, 207 | US9255090, 208 | US9255090, 227) Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1COc2ccccc12 Show InChI InChI=1S/C29H28FNO5/c1-2-35-27-10-7-18(14-29(33)34)13-23(27)21-8-9-25(30)22-11-12-31(16-24(21)22)28(32)15-19-17-36-26-6-4-3-5-20(19)26/h3-10,13,19H,2,11-12,14-17H2,1H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205765 (US9255090, 234) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)C[C@@H](C)c1ccccc1 Show InChI InChI=1S/C29H30FNO4/c1-3-35-27-16-20(17-29(33)34)9-10-24(27)22-11-12-26(30)23-13-14-31(18-25(22)23)28(32)15-19(2)21-7-5-4-6-8-21/h4-12,16,19H,3,13-15,17-18H2,1-2H3,(H,33,34)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205866 (US9255090, 335) Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1CCOc2cc(F)ccc12 Show InChI InChI=1S/C30H29F2NO5/c1-2-37-27-8-3-18(14-30(35)36)13-24(27)22-6-7-26(32)23-9-11-33(17-25(22)23)29(34)15-19-10-12-38-28-16-20(31)4-5-21(19)28/h3-8,13,16,19H,2,9-12,14-15,17H2,1H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205855 (US9255090, 324) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1COc2ccccc2C1 Show InChI InChI=1S/C30H30FNO5/c1-2-36-28-14-19(16-30(34)35)7-8-24(28)22-9-10-26(31)23-11-12-32(17-25(22)23)29(33)15-20-13-21-5-3-4-6-27(21)37-18-20/h3-10,14,20H,2,11-13,15-18H2,1H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205761 (US9255090, 230) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1(CC1)c1ccccc1 Show InChI InChI=1S/C30H30FNO4/c1-2-36-27-16-20(17-29(34)35)8-9-24(27)22-10-11-26(31)23-12-15-32(19-25(22)23)28(33)18-30(13-14-30)21-6-4-3-5-7-21/h3-11,16H,2,12-15,17-19H2,1H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205736 (US9255090, 205 | US9255090, 206 | US9255090, 229) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1OCCc2ccccc12 Show InChI InChI=1S/C30H30FNO5/c1-2-36-27-15-19(16-30(34)35)7-8-24(27)22-9-10-26(31)23-11-13-32(18-25(22)23)29(33)17-28-21-6-4-3-5-20(21)12-14-37-28/h3-10,15,28H,2,11-14,16-18H2,1H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205942 (US9255090, 411) Show SMILES OC(=O)Cc1ccc(c(OCC(F)(F)F)c1)-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H23F4NO5/c28-23-9-8-19(21-7-6-18(13-25(33)34)12-24(21)37-16-27(29,30)31)22-14-32(11-10-20(22)23)26(35)36-15-17-4-2-1-3-5-17/h1-9,12H,10-11,13-16H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205720 (US9255090, 189) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)C[C@@H](C)c1ccccc1 Show InChI InChI=1S/C28H28FNO4/c1-18(20-6-4-3-5-7-20)14-27(31)30-13-12-22-24(17-30)21(10-11-25(22)29)23-9-8-19(16-28(32)33)15-26(23)34-2/h3-11,15,18H,12-14,16-17H2,1-2H3,(H,32,33)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.04	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205726 (US9255090, 195) Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H26FNO5/c1-2-33-25-11-8-19(15-26(30)31)14-22(25)20-9-10-24(28)21-12-13-29(16-23(20)21)27(32)34-17-18-6-4-3-5-7-18/h3-11,14H,2,12-13,15-17H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.06	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205764 (US9255090, 233) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1CCc2ccccc12 Show InChI InChI=1S/C30H30FNO4/c1-2-36-28-15-19(16-30(34)35)7-10-25(28)23-11-12-27(31)24-13-14-32(18-26(23)24)29(33)17-21-9-8-20-5-3-4-6-22(20)21/h3-7,10-12,15,21H,2,8-9,13-14,16-18H2,1H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205889 (US9255090, 358) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC(C)(C)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NO4/c1-29(2,19-5-7-20(30)8-6-19)16-27(33)32-13-12-22-24(17-32)21(10-11-25(22)31)23-9-4-18(15-28(34)35)14-26(23)36-3/h4-11,14H,12-13,15-17H2,1-3H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205533 (US9255090, 2 | US9255090, 64) Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 Show InChI InChI=1S/C28H25ClFNO4/c1-35-26-9-2-16(13-27(32)33)12-22(26)19-7-8-25(30)20-10-11-31(15-24(19)20)28(34)23-14-21(23)17-3-5-18(29)6-4-17/h2-9,12,21,23H,10-11,13-15H2,1H3,(H,32,33)/t21-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.12	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205601 (US9255090, 70) Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(Cl)c2CCN(Cc12)C(=O)[C@@H]1C[C@H]1c1ccccc1F Show InChI InChI=1S/C28H25ClFNO4/c1-35-26-9-6-16(13-27(32)33)12-21(26)17-7-8-24(29)18-10-11-31(15-23(17)18)28(34)22-14-20(22)19-4-2-3-5-25(19)30/h2-9,12,20,22H,10-11,13-15H2,1H3,(H,32,33)/t20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.16	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205925 (US9255090, 394) Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccn1 Show InChI InChI=1S/C26H25FN2O5/c1-2-33-24-9-6-17(14-25(30)31)13-21(24)19-7-8-23(27)20-10-12-29(15-22(19)20)26(32)34-16-18-5-3-4-11-28-18/h3-9,11,13H,2,10,12,14-16H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205884 (US9255090, 353) Show SMILES CC(C)Oc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1CCOc2ccccc12 Show InChI InChI=1S/C31H32FNO5/c1-19(2)38-29-15-20(16-31(35)36)7-8-25(29)23-9-10-27(32)24-11-13-33(18-26(23)24)30(34)17-21-12-14-37-28-6-4-3-5-22(21)28/h3-10,15,19,21H,11-14,16-18H2,1-2H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205829 (US9255090, 298) Show SMILES CC(C)Oc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1COc2ccccc12 Show InChI InChI=1S/C30H30FNO5/c1-18(2)37-28-10-7-19(14-30(34)35)13-24(28)22-8-9-26(31)23-11-12-32(16-25(22)23)29(33)15-20-17-36-27-6-4-3-5-21(20)27/h3-10,13,18,20H,11-12,14-17H2,1-2H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205752 (US9255090, 221) Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)C[C@@H](C)c1ccccc1 Show InChI InChI=1S/C29H30FNO4/c1-3-35-27-12-9-20(17-29(33)34)16-24(27)22-10-11-26(30)23-13-14-31(18-25(22)23)28(32)15-19(2)21-7-5-4-6-8-21/h4-12,16,19H,3,13-15,17-18H2,1-2H3,(H,33,34)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205716 (US9255090, 185) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CCCc1ccccc1F Show InChI InChI=1S/C28H27F2NO4/c1-35-26-15-18(16-28(33)34)9-10-22(26)20-11-12-25(30)21-13-14-31(17-23(20)21)27(32)8-4-6-19-5-2-3-7-24(19)29/h2-3,5,7,9-12,15H,4,6,8,13-14,16-17H2,1H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.28	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205729 (US9255090, 198) Show SMILES CC(C)COc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C29H30FNO5/c1-19(2)17-35-27-11-8-21(15-28(32)33)14-24(27)22-9-10-26(30)23-12-13-31(16-25(22)23)29(34)36-18-20-6-4-3-5-7-20/h3-11,14,19H,12-13,15-18H2,1-2H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.28	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205853 (US9255090, 322) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)C1CC1c1ccccn1 Show InChI InChI=1S/C28H27FN2O4/c1-2-35-26-13-17(14-27(32)33)6-7-20(26)18-8-9-24(29)19-10-12-31(16-23(18)19)28(34)22-15-21(22)25-5-3-4-11-30-25/h3-9,11,13,21-22H,2,10,12,14-16H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205692 (US9255090, 161) Show SMILES CC(C)Oc1ccc(OCC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)[C@@H]1C[C@H]1c1ccccc1 Show InChI InChI=1S/C30H30FNO5/c1-18(2)37-28-11-8-20(36-17-29(33)34)14-24(28)21-9-10-27(31)22-12-13-32(16-26(21)22)30(35)25-15-23(25)19-6-4-3-5-7-19/h3-11,14,18,23,25H,12-13,15-17H2,1-2H3,(H,33,34)/t23-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.38	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205724 (US9255090, 193) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)COCc1ccccc1Cl Show InChI InChI=1S/C27H25ClFNO5/c1-34-25-12-17(13-27(32)33)6-7-21(25)19-8-9-24(29)20-10-11-30(14-22(19)20)26(31)16-35-15-18-4-2-3-5-23(18)28/h2-9,12H,10-11,13-16H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.38	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205962 (US9255090, 431) Show SMILES CC(C)Oc1ccc(CC(O)=O)cc1-c1ccc(C#N)c2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C29H28N2O5/c1-19(2)36-27-11-8-21(15-28(32)33)14-25(27)24-10-9-22(16-30)23-12-13-31(17-26(23)24)29(34)35-18-20-6-4-3-5-7-20/h3-11,14,19H,12-13,15,17-18H2,1-2H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair

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