Compile Data Set for Download or QSAR

Found 557 hits with Last Name = 'paine' and Initial = 's'   

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))	BDBM50344999 (2-(2'-chloro-4'-(N-methylmethylsulfonamido)-5-(tri...) Show SMILES CN(c1ccc(c(Cl)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C17H15ClF3NO5S/c1-22(28(2,25)26)11-4-5-12(14(18)8-11)13-7-10(17(19,20)21)3-6-15(13)27-9-16(23)24/h3-8H,9H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419668 (CHEMBL1947157) Show SMILES O[C@@H](CNCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H27Cl2N3O3S/c27-20-5-2-6-21(28)18(20)10-12-29-14-17-4-1-3-16(13-17)9-11-30-15-23(33)19-7-8-22(32)24-25(19)35-26(34)31-24/h1-8,13,23,29-30,32-33H,9-12,14-15H2,(H,31,34)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419678 (CHEMBL1945036) Show SMILES CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 |r| Show InChI InChI=1S/C27H31N3O3S/c1-18(21-5-3-2-4-6-21)15-29-16-20-9-7-19(8-10-20)13-14-28-17-24(32)22-11-12-23(31)25-26(22)34-27(33)30-25/h2-12,18,24,28-29,31-32H,13-17H2,1H3,(H,30,33)/t18?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344993 (2-(2'-chloro-4'-(methylsulfonyl)-5-(trifluoromethy...) Show SMILES CS(=O)(=O)c1ccc(c(Cl)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F Show InChI InChI=1S/C16H12ClF3O5S/c1-26(23,24)10-3-4-11(13(17)7-10)12-6-9(16(18,19)20)2-5-14(12)25-8-15(21)22/h2-7H,8H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344995 (2-(5'-cyano-2'-methyl-5-(trifluoromethyl)biphenyl-...) Show SMILES Cc1ccc(cc1-c1cc(ccc1OCC(O)=O)C(F)(F)F)C#N Show InChI InChI=1S/C17H12F3NO3/c1-10-2-3-11(8-21)6-13(10)14-7-12(17(18,19)20)4-5-15(14)24-9-16(22)23/h2-7H,9H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344996 (2-(5'-cyano-2'-fluoro-5-(trifluoromethyl)biphenyl-...) Show SMILES OC(=O)COc1ccc(cc1-c1cc(ccc1F)C#N)C(F)(F)F Show InChI InChI=1S/C16H9F4NO3/c17-13-3-1-9(7-21)5-11(13)12-6-10(16(18,19)20)2-4-14(12)24-8-15(22)23/h1-6H,8H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50339747 ((S)-2-(2-((4-(2-(4-fluorophenyl)acetyl)-3-methylpi...) Show SMILES C[C@H]1CN(Cc2cc(ccc2OCC(O)=O)C(F)(F)F)CCN1C(=O)Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C23H24F4N2O4/c1-15-12-28(8-9-29(15)21(30)10-16-2-5-19(24)6-3-16)13-17-11-18(23(25,26)27)4-7-20(17)33-14-22(31)32/h2-7,11,15H,8-10,12-14H2,1H3,(H,31,32)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R& D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay				J Med Chem 54: 1779-88 (2011) Article DOI: 10.1021/jm1014549 BindingDB Entry DOI: 10.7270/Q2H41RQJ
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344992 (2-(2'-chloro-4'-(ethylsulfonyl)-5-(trifluoromethyl...) Show SMILES CCS(=O)(=O)c1ccc(c(Cl)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F Show InChI InChI=1S/C17H14ClF3O5S/c1-2-27(24,25)11-4-5-12(14(18)8-11)13-7-10(17(19,20)21)3-6-15(13)26-9-16(22)23/h3-8H,2,9H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50423388 (CHEMBL251024) Show SMILES CCCCNc1nc(SCCC)nc2n(nnc12)[C@@H]1O[C@H](\C=C\C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C22H31N7O8S/c1-3-5-8-23-18-15-19(26-22(25-18)38-9-4-2)29(28-27-15)20-17(34)16(33)12(37-20)6-7-13(30)24-11(21(35)36)10-14(31)32/h6-7,11-12,16-17,20,33-34H,3-5,8-10H2,1-2H3,(H,24,30)(H,31,32)(H,35,36)(H,23,25,26)/b7-6+/t11-,12+,16+,17+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human P2Y12 receptor assessed as ADP-induced human platelet aggregation				Bioorg Med Chem Lett 17: 6013-8 (2007) Article DOI: 10.1016/j.bmcl.2007.07.057 BindingDB Entry DOI: 10.7270/Q2JD4Z2Q
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344998 (2-(2'-methyl-4'-(N-methylmethylsulfonamido)-5-(tri...) Show SMILES CN(c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C18H18F3NO5S/c1-11-8-13(22(2)28(3,25)26)5-6-14(11)15-9-12(18(19,20)21)4-7-16(15)27-10-17(23)24/h4-9H,10H2,1-3H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50026419 (CHEMBL1778628) Show SMILES OC(=O)COc1ccc(cc1-c1cccc(c1)C#N)C(F)(F)F Show InChI InChI=1S/C16H10F3NO3/c17-16(18,19)12-4-5-14(23-9-15(21)22)13(7-12)11-3-1-2-10(6-11)8-20/h1-7H,9H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50423387 (CHEMBL437204) Show SMILES CCCCNc1nc(SCCC)nc2n(nnc12)[C@@H]1C[C@H](\C=C\C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C23H33N7O7S/c1-3-5-8-24-20-17-21(27-23(26-20)38-9-4-2)30(29-28-17)14-10-12(18(34)19(14)35)6-7-15(31)25-13(22(36)37)11-16(32)33/h6-7,12-14,18-19,34-35H,3-5,8-11H2,1-2H3,(H,25,31)(H,32,33)(H,36,37)(H,24,26,27)/b7-6+/t12-,13-,14+,18+,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human P2Y12 receptor assessed as ADP-induced human platelet aggregation				Bioorg Med Chem Lett 17: 6013-8 (2007) Article DOI: 10.1016/j.bmcl.2007.07.057 BindingDB Entry DOI: 10.7270/Q2JD4Z2Q
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50339748 (CHEMBL1689128 | [4-Chloro-2-[[(3S)-4-[(4-chlorophe...) Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-11-19(24)6-7-20(17)30-14-22(28)29)8-9-26(15)21(27)10-16-2-4-18(23)5-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R& D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay				J Med Chem 54: 1779-88 (2011) Article DOI: 10.1021/jm1014549 BindingDB Entry DOI: 10.7270/Q2H41RQJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419670 (CHEMBL1944691) Show SMILES O[C@@H](CNCCc1cccc(CNCCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H28FN3O3S/c27-21-7-2-1-6-19(21)11-13-28-15-18-5-3-4-17(14-18)10-12-29-16-23(32)20-8-9-22(31)24-25(20)34-26(33)30-24/h1-9,14,23,28-29,31-32H,10-13,15-16H2,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419702 (CHEMBL1945038) Show SMILES O[C@@H](CNCCc1cccc(CNCCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H30N4O3S/c31-22-10-9-21(25-24(22)30-26(33)34-25)23(32)17-28-14-11-18-5-3-6-19(15-18)16-27-12-4-8-20-7-1-2-13-29-20/h1-3,5-7,9-10,13,15,23,27-28,31-32H,4,8,11-12,14,16-17H2,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50339749 ((S)-2-(2-((4-(benzylsulfonyl)-3-methylpiperazin-1-...) Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2CC(O)=O)CCN1S(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C21H25ClN2O4S/c1-16-13-23(14-19-11-20(22)8-7-18(19)12-21(25)26)9-10-24(16)29(27,28)15-17-5-3-2-4-6-17/h2-8,11,16H,9-10,12-15H2,1H3,(H,25,26)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R& D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay				J Med Chem 54: 1779-88 (2011) Article DOI: 10.1021/jm1014549 BindingDB Entry DOI: 10.7270/Q2H41RQJ
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344988 (2-(2',5-dichloro-4'-(methylsulfonyl)biphenyl-2-ylo...) Show SMILES CS(=O)(=O)c1ccc(c(Cl)c1)-c1cc(Cl)ccc1OCC(O)=O Show InChI InChI=1S/C15H12Cl2O5S/c1-23(20,21)10-3-4-11(13(17)7-10)12-6-9(16)2-5-14(12)22-8-15(18)19/h2-7H,8H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344974 ((R)-2-(3'-cyano-5-(trifluoromethyl)biphenyl-2-ylox...) Show SMILES C[C@@H](Oc1ccc(cc1-c1cccc(c1)C#N)C(F)(F)F)C(O)=O |r| Show InChI InChI=1S/C17H12F3NO3/c1-10(16(22)23)24-15-6-5-13(17(18,19)20)8-14(15)12-4-2-3-11(7-12)9-21/h2-8,10H,1H3,(H,22,23)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50357127 (CHEMBL1917440) Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(cccc2n1CC(O)=O)-c1cnccn1 Show InChI InChI=1S/C21H16ClN3O2S/c1-13-21(28-15-7-5-14(22)6-8-15)20-16(17-11-23-9-10-24-17)3-2-4-18(20)25(13)12-19(26)27/h2-11H,12H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344975 ((2R)-2-(2'-chloro-4'-(ethylsulfonyl)-5-(trifluorom...) Show SMILES CCS(=O)(=O)c1ccc(c(Cl)c1)-c1cc(ccc1O[C@H](C)C(O)=O)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3O5S/c1-3-28(25,26)12-5-6-13(15(19)9-12)14-8-11(18(20,21)22)4-7-16(14)27-10(2)17(23)24/h4-10H,3H2,1-2H3,(H,23,24)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419674 (CHEMBL1945031) Show SMILES Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12 |r| Show InChI InChI=1S/C29H32N4O3S/c1-18-4-2-7-22-21(16-32-26(18)22)11-13-30-15-20-6-3-5-19(14-20)10-12-31-17-25(35)23-8-9-24(34)27-28(23)37-29(36)33-27/h2-9,14,16,25,30-32,34-35H,10-13,15,17H2,1H3,(H,33,36)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419669 (CHEMBL1944690) Show SMILES O[C@@H](CNCCc1cccc(CNCCc2ccccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H28ClN3O3S/c27-21-7-2-1-6-19(21)11-13-28-15-18-5-3-4-17(14-18)10-12-29-16-23(32)20-8-9-22(31)24-25(20)34-26(33)30-24/h1-9,14,23,28-29,31-32H,10-13,15-16H2,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419710 (CHEMBL1946768) Show SMILES Oc1ccc(CCNCCc2cccc(CNCCc3c(Cl)cccc3Cl)c2)c2sc(=O)[nH]c12 Show InChI InChI=1S/C26H27Cl2N3O2S/c27-21-5-2-6-22(28)20(21)11-14-30-16-18-4-1-3-17(15-18)9-12-29-13-10-19-7-8-23(32)24-25(19)34-26(33)31-24/h1-8,15,29-30,32H,9-14,16H2,(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419679 (CHEMBL1945037) Show SMILES O[C@@H](CNCCc1cccc(CNCCCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C27H31N3O3S/c31-23-12-11-22(26-25(23)30-27(33)34-26)24(32)18-29-15-13-20-8-4-9-21(16-20)17-28-14-5-10-19-6-2-1-3-7-19/h1-4,6-9,11-12,16,24,28-29,31-32H,5,10,13-15,17-18H2,(H,30,33)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419687 (CHEMBL1947151) Show SMILES C[C@@H](NCc1ccccc1-c1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 |r| Show InChI InChI=1S/C32H33N3O2S/c1-22(24-7-3-2-4-8-24)34-21-27-9-5-6-10-28(27)25-13-11-23(12-14-25)17-19-33-20-18-26-15-16-29(36)30-31(26)38-32(37)35-30/h2-16,22,33-34,36H,17-21H2,1H3,(H,35,37)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419671 (CHEMBL1944693) Show SMILES COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C27H31N3O4S/c1-34-24-8-3-2-7-20(24)12-14-28-16-19-6-4-5-18(15-19)11-13-29-17-23(32)21-9-10-22(31)25-26(21)35-27(33)30-25/h2-10,15,23,28-29,31-32H,11-14,16-17H2,1H3,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50339750 ((S)-2-(4-chloro-2-((3-methyl-4-(phenylsulfonyl)pip...) Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H23ClN2O5S/c1-15-12-22(9-10-23(15)29(26,27)18-5-3-2-4-6-18)13-16-11-17(21)7-8-19(16)28-14-20(24)25/h2-8,11,15H,9-10,12-14H2,1H3,(H,24,25)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R& D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay				J Med Chem 54: 1779-88 (2011) Article DOI: 10.1021/jm1014549 BindingDB Entry DOI: 10.7270/Q2H41RQJ
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50345003 (2-(4'-(N-methylmethylsulfonamido)-5-(trifluorometh...) Show SMILES CN(c1ccc(cc1)-c1cc(ccc1OCC(O)=O)C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C17H16F3NO5S/c1-21(27(2,24)25)13-6-3-11(4-7-13)14-9-12(17(18,19)20)5-8-15(14)26-10-16(22)23/h3-9H,10H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344991 (2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl...) Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F Show InChI InChI=1S/C18H17F3O5S/c1-3-27(24,25)13-5-6-14(11(2)8-13)15-9-12(18(19,20)21)4-7-16(15)26-10-17(22)23/h4-9H,3,10H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50357125 (CHEMBL1917438) Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(cccc2n1CC(O)=O)-c1ccccc1 Show InChI InChI=1S/C23H18ClNO2S/c1-15-23(28-18-12-10-17(24)11-13-18)22-19(16-6-3-2-4-7-16)8-5-9-20(22)25(15)14-21(26)27/h2-13H,14H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Mus musculus (mouse))	BDBM50344991 (2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl...) Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F Show InChI InChI=1S/C18H17F3O5S/c1-3-27(24,25)13-5-6-14(11(2)8-13)15-9-12(18(19,20)21)4-7-16(15)26-10-17(22)23/h4-9H,3,10H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Binding affinity to mouse CRTh2 receptor				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50339751 ((S)-2-(4-chloro-2-((4-(2-(4-fluorophenyl)acetyl)-3...) Show SMILES C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24ClFN2O4/c1-15-12-25(13-17-11-18(23)4-7-20(17)30-14-22(28)29)8-9-26(15)21(27)10-16-2-5-19(24)6-3-16/h2-7,11,15H,8-10,12-14H2,1H3,(H,28,29)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R& D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay				J Med Chem 54: 1779-88 (2011) Article DOI: 10.1021/jm1014549 BindingDB Entry DOI: 10.7270/Q2H41RQJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419703 (CHEMBL1945042) Show SMILES O[C@@H](CNCCc1cccc(CNCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C25H26FN3O3S/c26-20-7-2-1-6-18(20)14-28-13-17-5-3-4-16(12-17)10-11-27-15-22(31)19-8-9-21(30)23-24(19)33-25(32)29-23/h1-9,12,22,27-28,30-31H,10-11,13-15H2,(H,29,32)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50357112 (CHEMBL1917427) Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(C)c(F)ccc2n1CC(O)=O Show InChI InChI=1S/C18H15ClFNO2S/c1-10-14(20)7-8-15-17(10)18(11(2)21(15)9-16(22)23)24-13-5-3-12(19)4-6-13/h3-8H,9H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Rattus norvegicus)	BDBM50344991 (2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl...) Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F Show InChI InChI=1S/C18H17F3O5S/c1-3-27(24,25)13-5-6-14(11(2)8-13)15-9-12(18(19,20)21)4-7-16(15)26-10-17(22)23/h4-9H,3,10H2,1-2H3,(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Binding affinity to rat CRTh2 receptor				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50339753 ((S)-2-(4-chloro-2-(((S)-4-(2-(4-chlorophenyl)acety...) Show SMILES C[C@H](Oc1ccc(Cl)cc1CN1CCN([C@@H](C)C1)C(=O)Cc1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C23H26Cl2N2O4/c1-15-13-26(9-10-27(15)22(28)11-17-3-5-19(24)6-4-17)14-18-12-20(25)7-8-21(18)31-16(2)23(29)30/h3-8,12,15-16H,9-11,13-14H2,1-2H3,(H,29,30)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R& D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay				J Med Chem 54: 1779-88 (2011) Article DOI: 10.1021/jm1014549 BindingDB Entry DOI: 10.7270/Q2H41RQJ
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50339752 ((S)-2-(4-chloro-2-((4-(phenylsulfonyl)-3-propylpip...) Show SMILES CCC[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H27ClN2O5S/c1-2-6-19-15-24(11-12-25(19)31(28,29)20-7-4-3-5-8-20)14-17-13-18(23)9-10-21(17)30-16-22(26)27/h3-5,7-10,13,19H,2,6,11-12,14-16H2,1H3,(H,26,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R& D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay				J Med Chem 54: 1779-88 (2011) Article DOI: 10.1021/jm1014549 BindingDB Entry DOI: 10.7270/Q2H41RQJ
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50345007 (2-(4'-(N,N-diethylsulfamoyl)-5-(trifluoromethyl)bi...) Show SMILES CCN(CC)S(=O)(=O)c1ccc(cc1)-c1cc(ccc1OCC(O)=O)C(F)(F)F Show InChI InChI=1S/C19H20F3NO5S/c1-3-23(4-2)29(26,27)15-8-5-13(6-9-15)16-11-14(19(20,21)22)7-10-17(16)28-12-18(24)25/h5-11H,3-4,12H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50357105 (CHEMBL1917443) Show SMILES Cc1c(Sc2ccc(cc2)S(C)(=O)=O)c2cc(C)ccc2n1CC(O)=O Show InChI InChI=1S/C19H19NO4S2/c1-12-4-9-17-16(10-12)19(13(2)20(17)11-18(21)22)25-14-5-7-15(8-6-14)26(3,23)24/h4-10H,11H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344984 (2-(2',5-dichloro-4'-(ethylsulfonyl)biphenyl-2-ylox...) Show SMILES CCS(=O)(=O)c1ccc(c(Cl)c1)-c1cc(Cl)ccc1OCC(O)=O Show InChI InChI=1S/C16H14Cl2O5S/c1-2-24(21,22)11-4-5-12(14(18)8-11)13-7-10(17)3-6-15(13)23-9-16(19)20/h3-8H,2,9H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50357149 (CHEMBL1917426) Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C17H13ClFNO2S/c1-10-17(23-13-5-2-11(18)3-6-13)14-8-12(19)4-7-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344982 ((2R)-2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluorom...) Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1O[C@H](C)C(O)=O)C(F)(F)F |r| Show InChI InChI=1S/C19H19F3O5S/c1-4-28(25,26)14-6-7-15(11(2)9-14)16-10-13(19(20,21)22)5-8-17(16)27-12(3)18(23)24/h5-10,12H,4H2,1-3H3,(H,23,24)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419665 (CHEMBL1945299) Show SMILES COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C27H31N3O4S/c1-34-24-8-3-2-7-20(24)16-28-13-11-18-5-4-6-19(15-18)12-14-29-17-23(32)21-9-10-22(31)25-26(21)35-27(33)30-25/h2-10,15,23,28-29,31-32H,11-14,16-17H2,1H3,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344994 (2-(5-chloro-3'-cyanobiphenyl-2-yloxy)acetic acid |...) Show SMILES OC(=O)COc1ccc(Cl)cc1-c1cccc(c1)C#N Show InChI InChI=1S/C15H10ClNO3/c16-12-4-5-14(20-9-15(18)19)13(7-12)11-3-1-2-10(6-11)8-17/h1-7H,9H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50357104 (CHEMBL1917433) Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(O)=O Show InChI InChI=1S/C18H17ClN2O4S2/c1-11-18(26-13-8-6-12(19)7-9-13)17-14(20-27(2,24)25)4-3-5-15(17)21(11)10-16(22)23/h3-9,20H,10H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419682 (CHEMBL1945041) Show SMILES O[C@@H](CNCCc1cccc(CNCc2ccccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C25H26ClN3O3S/c26-20-7-2-1-6-18(20)14-28-13-17-5-3-4-16(12-17)10-11-27-15-22(31)19-8-9-21(30)23-24(19)33-25(32)29-23/h1-9,12,22,27-28,30-31H,10-11,13-15H2,(H,29,32)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419672 (CHEMBL1944694) Show SMILES COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r| Show InChI InChI=1S/C27H31N3O4S/c1-34-24-5-3-2-4-20(24)13-15-28-16-19-8-6-18(7-9-19)12-14-29-17-23(32)21-10-11-22(31)25-26(21)35-27(33)30-25/h2-11,23,28-29,31-32H,12-17H2,1H3,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419673 (CHEMBL1944695) Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H29N3O3S/c30-22-11-10-21(25-24(22)29-26(32)33-25)23(31)17-28-15-13-19-6-8-20(9-7-19)16-27-14-12-18-4-2-1-3-5-18/h1-11,23,27-28,30-31H,12-17H2,(H,29,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419701 (CHEMBL1944692) Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccc2F)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H28FN3O3S/c27-21-4-2-1-3-19(21)12-14-28-15-18-7-5-17(6-8-18)11-13-29-16-23(32)20-9-10-22(31)24-25(20)34-26(33)30-24/h1-10,23,28-29,31-32H,11-16H2,(H,30,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419677 (CHEMBL1945035) Show SMILES O[C@@H](CNCCc1ccccc1CNCCc1ccccc1F)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H28FN3O3S/c27-21-8-4-3-6-18(21)12-14-28-15-19-7-2-1-5-17(19)11-13-29-16-23(32)20-9-10-22(31)24-25(20)34-26(33)30-24/h1-10,23,28-29,31-32H,11-16H2,(H,30,33)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
					More data for this Ligand-Target Pair

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