Compile Data Set for Download or QSAR

Found 475 hits with Last Name = 'sebille' and Initial = 'e'   

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))	BDBM50397656 (CHEMBL2181745 | US8796280, 17) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1 Show InChI InChI=1S/C25H20F4N4O2S/c1-33(20-12-10-19(26)11-13-20)16-17-6-8-18(9-7-17)23-24(31-15-14-30-23)32-36(34,35)22-5-3-2-4-21(22)25(27,28)29/h2-15H,16H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	380	-36.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128328 (US8796280, 18) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C25H21F3N4O2S/c1-32(20-7-3-2-4-8-20)17-18-11-13-19(14-12-18)23-24(30-16-15-29-23)31-35(33,34)22-10-6-5-9-21(22)25(26,27)28/h2-16H,17H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	400	-36.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128314 (US8796280, 3) Show SMILES CCc1nc2ccccc2n1Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H22F3N5O2S/c1-2-24-33-21-8-4-5-9-22(21)35(24)17-18-11-13-19(14-12-18)25-26(32-16-15-31-25)34-38(36,37)23-10-6-3-7-20(23)27(28,29)30/h3-16H,2,17H2,1H3,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	450	-36.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128329 (US8796280, 19) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(cc1)C#N Show InChI InChI=1S/C26H22F3N5O2S/c1-34(21-12-8-18(16-30)9-13-21)17-19-6-10-20(11-7-19)24-25(32-15-14-31-24)33-37(35,36)23-5-3-2-4-22(23)26(27,28)29/h2-15,37H,17H2,1H3,(H2,32,33,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	470	-36.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128330 (US8796280, 20) Show SMILES Fc1ccc(OCc2ccc(cc2)-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C24H19F4N3O3S/c25-18-9-11-19(12-10-18)34-15-16-5-7-17(8-6-16)22-23(30-14-13-29-22)31-35(32,33)21-4-2-1-3-20(21)24(26,27)28/h1-14,35H,15H2,(H2,30,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	480	-36.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128331 (US8796280, 21) Show SMILES CCN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C26H25F3N4O2S/c1-2-33(21-8-4-3-5-9-21)18-19-12-14-20(15-13-19)24-25(31-17-16-30-24)32-36(34,35)23-11-7-6-10-22(23)26(27,28)29/h3-17,36H,2,18H2,1H3,(H2,31,32,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	590	-35.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128332 (US8796280, 22) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(CN2CCOc3ccccc23)cc1 Show InChI InChI=1S/C26H23F3N4O3S/c27-26(28,29)20-5-1-4-8-23(20)37(34,35)32-25-24(30-13-14-31-25)19-11-9-18(10-12-19)17-33-15-16-36-22-7-3-2-6-21(22)33/h1-14,37H,15-17H2,(H2,31,32,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	620	-35.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128333 (US8796280, 23) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F)c1cccc(F)c1 Show InChI InChI=1S/C25H22F4N4O2S/c1-33(20-6-4-5-19(26)15-20)16-17-9-11-18(12-10-17)23-24(31-14-13-30-23)32-36(34,35)22-8-3-2-7-21(22)25(27,28)29/h2-15,36H,16H2,1H3,(H2,31,32,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	700	-35.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128334 (US8796280, 24) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(COc2ccc(Cl)nc2)cc1 Show InChI InChI=1S/C23H18ClF3N4O3S/c24-20-10-9-17(13-30-20)34-14-15-5-7-16(8-6-15)21-22(29-12-11-28-21)31-35(32,33)19-4-2-1-3-18(19)23(25,26)27/h1-13,35H,14H2,(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	720	-35.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128335 (US8796280, 25) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(Cn2c(cc3ccccc23)-c2ccccn2)cc1 Show InChI InChI=1S/C31H24F3N5O2S/c32-31(33,34)24-8-2-4-11-28(24)42(40,41)38-30-29(36-17-18-37-30)22-14-12-21(13-15-22)20-39-26-10-3-1-7-23(26)19-27(39)25-9-5-6-16-35-25/h1-19,42H,20H2,(H2,37,38,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	850	-34.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128336 (US8796280, 26) Show SMILES Fc1ccc2n(Cc3ccc(cc3)-c3nccnc3NS(=O)(=O)c3ccccc3C(F)(F)F)ccc2c1 Show InChI InChI=1S/C26H20F4N4O2S/c27-20-9-10-22-19(15-20)11-14-34(22)16-17-5-7-18(8-6-17)24-25(32-13-12-31-24)33-37(35,36)23-4-2-1-3-21(23)26(28,29)30/h1-15,37H,16H2,(H2,32,33,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	950	-34.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128312 (US8796280, 1) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(Cn2ccc3ccccc23)cc1 Show InChI InChI=1S/C26H19F3N4O2S/c27-26(28,29)21-6-2-4-8-23(21)36(34,35)32-25-24(30-14-15-31-25)20-11-9-18(10-12-20)17-33-16-13-19-5-1-3-7-22(19)33/h1-16H,17H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.01E+3	-34.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128313 (US8796280, 2) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1Cl)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C25H20ClF3N4O3S/c1-33(19-10-12-20(13-11-19)36-25(27,28)29)16-17-6-8-18(9-7-17)23-24(31-15-14-30-23)32-37(34,35)22-5-3-2-4-21(22)26/h2-15H,16H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.26E+3	-33.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128337 (US8796280, 27) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(COc2ccccc2)cc1 Show InChI InChI=1S/C24H20F3N3O3S/c25-24(26,27)20-8-4-5-9-21(20)34(31,32)30-23-22(28-14-15-29-23)18-12-10-17(11-13-18)16-33-19-6-2-1-3-7-19/h1-15,34H,16H2,(H2,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.32E+3	-33.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128321 (US8796280, 10) Show SMILES COc1cccc(COCc2ccc(cc2)-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C26H22F3N3O4S/c1-35-21-6-4-5-19(15-21)17-36-16-18-9-11-20(12-10-18)24-25(31-14-13-30-24)32-37(33,34)23-8-3-2-7-22(23)26(27,28)29/h2-15H,16-17H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40E+3	-33.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128319 (US8796280, 8) Show SMILES CCc1nc2ccccc2n1Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C26H22ClN5O2S/c1-2-24-30-21-8-4-5-9-22(21)32(24)17-18-11-13-19(14-12-18)25-26(29-16-15-28-25)31-35(33,34)23-10-6-3-7-20(23)27/h3-16H,2,17H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.42E+3	-33.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128338 (US8796280, 28) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H22ClF3N4O2S/c1-33(20-12-10-19(26)11-13-20)16-17-6-8-18(9-7-17)23-24(31-15-14-30-23)32-36(34,35)22-5-3-2-4-21(22)25(27,28)29/h2-15,36H,16H2,1H3,(H2,31,32,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.47E+3	-33.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128339 (US8796280, 29) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1Cl)c1ccc(cc1)C#N Show InChI InChI=1S/C25H22ClN5O2S/c1-31(21-12-8-18(16-27)9-13-21)17-19-6-10-20(11-7-19)24-25(29-15-14-28-24)30-34(32,33)23-5-3-2-4-22(23)26/h2-15,34H,17H2,1H3,(H2,29,30,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.49E+3	-33.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128315 (US8796280, 4) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1Cl)c1ccccc1 Show InChI InChI=1S/C24H21ClN4O2S/c1-29(20-7-3-2-4-8-20)17-18-11-13-19(14-12-18)23-24(27-16-15-26-23)28-32(30,31)22-10-6-5-9-21(22)25/h2-16H,17H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.57E+3	-33.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128340 (US8796280, 30) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H21Cl2F3N4O2S/c1-34(18-10-11-20(26)21(27)14-18)15-16-6-8-17(9-7-16)23-24(32-13-12-31-23)33-37(35,36)22-5-3-2-4-19(22)25(28,29)30/h2-14,37H,15H2,1H3,(H2,32,33,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.58E+3	-33.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128341 (US8796280, 31) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(COc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C25H19F3N4O3S/c26-25(27,28)21-3-1-2-4-22(21)36(33,34)32-24-23(30-13-14-31-24)19-9-5-18(6-10-19)16-35-20-11-7-17(15-29)8-12-20/h1-14,36H,16H2,(H2,31,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.59E+3	-33.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128342 (US8796280, 32) Show SMILES Fc1ccc2ccn(Cc3ccc(cc3)-c3nccnc3NS(=O)(=O)c3ccccc3C(F)(F)F)c2c1 Show InChI InChI=1S/C26H20F4N4O2S/c27-20-10-9-18-11-14-34(22(18)15-20)16-17-5-7-19(8-6-17)24-25(32-13-12-31-24)33-37(35,36)23-4-2-1-3-21(23)26(28,29)30/h1-15,37H,16H2,(H2,32,33,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.93E+3	-32.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128317 (US8796280, 6) Show SMILES Clc1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(Cn2ccc3ccccc23)cc1 Show InChI InChI=1S/C25H19ClN4O2S/c26-21-6-2-4-8-23(21)33(31,32)29-25-24(27-14-15-28-25)20-11-9-18(10-12-20)17-30-16-13-19-5-1-3-7-22(19)30/h1-16H,17H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.12E+3	-32.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128343 (US8796280, 33) Show SMILES COc1ccc2n(Cc3ccc(cc3)-c3nccnc3NS(=O)(=O)c3ccccc3Cl)c(C)cc2c1 Show InChI InChI=1S/C27H25ClN4O3S/c1-18-15-21-16-22(35-2)11-12-24(21)32(18)17-19-7-9-20(10-8-19)26-27(30-14-13-29-26)31-36(33,34)25-6-4-3-5-23(25)28/h3-16,36H,17H2,1-2H3,(H2,30,31,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.21E+3	-32.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128316 (US8796280, 5) Show SMILES Clc1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(COc2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C27H20ClN3O3S/c28-24-7-3-4-8-25(24)35(32,33)31-27-26(29-15-16-30-27)21-11-9-19(10-12-21)18-34-23-14-13-20-5-1-2-6-22(20)17-23/h1-17H,18H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.32E+3	-32.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128318 (US8796280, 7) Show SMILES Clc1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(COc2ccc3CCCCc3c2)cc1 Show InChI InChI=1S/C27H24ClN3O3S/c28-24-7-3-4-8-25(24)35(32,33)31-27-26(29-15-16-30-27)21-11-9-19(10-12-21)18-34-23-14-13-20-5-1-2-6-22(20)17-23/h3-4,7-17H,1-2,5-6,18H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.59E+3	-31.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128344 (US8796280, 34) Show SMILES COc1ccc(OCc2ccc(cc2)-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C25H22F3N3O4S/c1-34-19-10-12-20(13-11-19)35-16-17-6-8-18(9-7-17)23-24(30-15-14-29-23)31-36(32,33)22-5-3-2-4-21(22)25(26,27)28/h2-15,36H,16H2,1H3,(H2,30,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.60E+3	-31.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128345 (US8796280, 35) Show SMILES Clc1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(CN(Cc2ccccc2)c2ccccn2)cc1 Show InChI InChI=1S/C29H26ClN5O2S/c30-25-10-4-5-11-26(25)38(36,37)34-29-28(32-18-19-33-29)24-15-13-23(14-16-24)21-35(27-12-6-7-17-31-27)20-22-8-2-1-3-9-22/h1-19,38H,20-21H2,(H2,33,34,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.64E+3	-31.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128346 (US8796280, 36) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(CN2CCc3ccccc23)cc1 Show InChI InChI=1S/C26H23F3N4O2S/c27-26(28,29)21-6-2-4-8-23(21)36(34,35)32-25-24(30-14-15-31-25)20-11-9-18(10-12-20)17-33-16-13-19-5-1-3-7-22(19)33/h1-12,14-15,36H,13,16-17H2,(H2,31,32,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.69E+3	-31.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128347 (US8796280, 37) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H21Cl2F3N4O2S/c1-34(21-11-10-18(26)14-20(21)27)15-16-6-8-17(9-7-16)23-24(32-13-12-31-23)33-37(35,36)22-5-3-2-4-19(22)25(28,29)30/h2-14,37H,15H2,1H3,(H2,32,33,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.82E+3	-31.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128348 (US8796280, 38) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(COc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C24H19ClF3N3O3S/c25-18-4-3-5-19(14-18)34-15-16-8-10-17(11-9-16)22-23(30-13-12-29-22)31-35(32,33)21-7-2-1-6-20(21)24(26,27)28/h1-14,35H,15H2,(H2,30,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.90E+3	-31.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128349 (US8796280, 39) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1Cl)c1ccc(F)cc1F Show InChI InChI=1S/C24H21ClF2N4O2S/c1-31(21-11-10-18(26)14-20(21)27)15-16-6-8-17(9-7-16)23-24(29-13-12-28-23)30-34(32,33)22-5-3-2-4-19(22)25/h2-14,34H,15H2,1H3,(H2,29,30,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.95E+3	-31.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128320 (US8796280, 9) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(CNc2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C25H19F3N4O4S/c26-25(27,28)19-3-1-2-4-22(19)37(33,34)32-24-23(29-11-12-30-24)17-7-5-16(6-8-17)14-31-18-9-10-20-21(13-18)36-15-35-20/h1-13,31H,14-15H2,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.98E+3	-31.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128350 (US8796280, 40) Show SMILES Cc1cc2ccccc2n1Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2S/c1-18-16-21-6-2-4-8-23(21)34(18)17-19-10-12-20(13-11-19)25-26(32-15-14-31-25)33-37(35,36)24-9-5-3-7-22(24)27(28,29)30/h2-16,37H,17H2,1H3,(H2,32,33,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.06E+3	-31.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128352 (US8796280, 42) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1Cl)c1ccccc1F Show InChI InChI=1S/C24H20ClFN4O2S/c1-30(21-8-4-3-7-20(21)26)16-17-10-12-18(13-11-17)23-24(28-15-14-27-23)29-33(31,32)22-9-5-2-6-19(22)25/h2-15H,16H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.90E+3	-30.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128351 (US8796280, 41) Show SMILES Fc1ccc2n(Cc3ccc(cc3)-c3nccnc3NS(=O)(=O)c3ccccc3Cl)ccc2c1 Show InChI InChI=1S/C25H18ClFN4O2S/c26-21-3-1-2-4-23(21)34(32,33)30-25-24(28-12-13-29-25)18-7-5-17(6-8-18)16-31-14-11-19-15-20(27)9-10-22(19)31/h1-15H,16H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.90E+3	-30.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128324 (US8796280, 13) Show SMILES O=S(=O)(Nc1nccnc1N1CCN(Cc2ccc3ccccc3n2)CC1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H28N6O3S/c37-40(38,27-14-12-26(13-15-27)39-25-7-2-1-3-8-25)34-29-30(32-17-16-31-29)36-20-18-35(19-21-36)22-24-11-10-23-6-4-5-9-28(23)33-24/h1-17H,18-22H2,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.03E+3	-30.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128353 (US8796280, 43) Show SMILES Cc1cc2ccccc2n1Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C26H21ClN4O2S/c1-18-16-21-6-2-4-8-23(21)31(18)17-19-10-12-20(13-11-19)25-26(29-15-14-28-25)30-34(32,33)24-9-5-3-7-22(24)27/h2-16H,17H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.11E+3	-30.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128354 (US8796280, 44) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(CN(Cc2ccccc2)c2ccccn2)cc1 Show InChI InChI=1S/C30H26F3N5O2S/c31-30(32,33)25-10-4-5-11-26(25)41(39,40)37-29-28(35-18-19-36-29)24-15-13-23(14-16-24)21-38(27-12-6-7-17-34-27)20-22-8-2-1-3-9-22/h1-19,41H,20-21H2,(H2,36,37,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.44E+3	-30.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128355 (US8796280, 45) Show SMILES CCN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1Cl)c1ccccn1 Show InChI InChI=1S/C24H22ClN5O2S/c1-2-30(22-9-5-6-14-26-22)17-18-10-12-19(13-11-18)23-24(28-16-15-27-23)29-33(31,32)21-8-4-3-7-20(21)25/h3-16H,2,17H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.51E+3	-30.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128356 (US8796280, 46) Show SMILES Cc1cc2cc(Cl)ccc2n1Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H22ClF3N4O2S/c1-17-14-20-15-21(28)10-11-23(20)35(17)16-18-6-8-19(9-7-18)25-26(33-13-12-32-25)34-38(36,37)24-5-3-2-4-22(24)27(29,30)31/h2-15,38H,16H2,1H3,(H2,33,34,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.65E+3	-30.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128322 (US8796280, 11) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1cccc(Cl)c1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C25H20ClF3N4O3S/c1-33(20-9-11-21(12-10-20)36-25(27,28)29)16-17-5-7-18(8-6-17)23-24(31-14-13-30-23)32-37(34,35)22-4-2-3-19(26)15-22/h2-15H,16H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.16E+3	-30.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128326 (US8796280, 15) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C24H21ClN4O2S/c1-29(21-5-3-2-4-6-21)17-18-7-9-19(10-8-18)23-24(27-16-15-26-23)28-32(30,31)22-13-11-20(25)12-14-22/h2-16H,17H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.38E+3	-30.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128327 (US8796280, 16) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccc(cc1)C#N)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C26H20F3N5O3S/c1-34(21-8-10-22(11-9-21)37-26(27,28)29)17-19-2-6-20(7-3-19)24-25(32-15-14-31-24)33-38(35,36)23-12-4-18(16-30)5-13-23/h2-15H,17H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.71E+3	-29.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128325 (US8796280, 14) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C26H23F3N4O3S/c1-18-3-13-23(14-4-18)37(34,35)32-25-24(30-15-16-31-25)20-7-5-19(6-8-20)17-33(2)21-9-11-22(12-10-21)36-26(27,28)29/h3-16H,17H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.85E+3	-29.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM128323 (US8796280, 12) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClN4O2S2/c1-27(19-10-8-18(23)9-11-19)15-16-4-6-17(7-5-16)21-22(25-13-12-24-21)26-31(28,29)20-3-2-14-30-20/h2-14H,15H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.43E+3	-29.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM169994 (US9073940, 344) Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H35FN4O5S/c28-23-5-1-4-21-25-22(18-38(34,35)26(21)23)24(27(33)31-11-15-37-16-12-31)29-32(25)20-3-2-9-30(17-20)10-6-19-7-13-36-14-8-19/h1,4-5,19-20H,2-3,6-18H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170092 (US9073940, 450) Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCN3CCCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r| Show InChI InChI=1S/C26H35N5O4S/c32-26(30-14-16-35-17-15-30)24-22-19-36(33,34)23-8-2-1-7-21(23)25(22)31(27-24)20-6-5-11-29(18-20)13-12-28-9-3-4-10-28/h1-2,7-8,20H,3-6,9-19H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM169955 (US9073940, 305) Show SMILES O=C(N1CCOCC1)c1nn(C2CCCN(CC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 Show InChI InChI=1S/C26H34N4O5S/c31-26(29-10-14-35-15-11-29)24-22-18-36(32,33)23-6-2-1-5-21(23)25(22)30(27-24)20-4-3-9-28(17-20)16-19-7-12-34-13-8-19/h1-2,5-6,19-20H,3-4,7-18H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170024 (US9073940, 376) Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ncccc-21 |r| Show InChI InChI=1S/C25H33N5O5S/c31-25(29-9-13-35-14-10-29)22-21-17-36(32,33)24-20(4-1-7-26-24)23(21)30(27-22)19-3-2-8-28(16-19)15-18-5-11-34-12-6-18/h1,4,7,18-19H,2-3,5-6,8-17H2/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair

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