Compile Data Set for Download or QSAR

Found 1330 hits with Last Name = 'peterson' and Initial = 'l'   

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
Prothrombin (Homo sapiens (Human))	BDBM50400807 (CHEMBL2204324) Show SMILES Clc1ccc2OCCNCCCNC[C@H](Cc3ccccc3)Nc3ncc(Cl)n(CC(=O)NCc2c1)c3=O |r| Show InChI InChI=1S/C27H32Cl2N6O3/c28-21-7-8-23-20(14-21)15-32-25(36)18-35-24(29)17-33-26(27(35)37)34-22(13-19-5-2-1-3-6-19)16-31-10-4-9-30-11-12-38-23/h1-3,5-8,14,17,22,30-31H,4,9-13,15-16,18H2,(H,32,36)(H,33,34)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of thrombin				J Med Chem 54: 1961-2004 (2011) Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066331 ((S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-...) Show SMILES CCN(CC)C(=O)CN[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl Show InChI InChI=1S/C26H38Cl2N4O3/c1-3-31(4-2)23(33)17-29-24(18-9-6-5-7-10-18)26(35)32-14-8-11-22(32)25(34)30-16-19-15-20(27)12-13-21(19)28/h12-13,15,18,22,24,29H,3-11,14,16-17H2,1-2H3,(H,30,34)/t22-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of thrombin				J Med Chem 54: 1961-2004 (2011) Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV
					More data for this Ligand-Target Pair
Appetite-regulating hormone (Homo sapiens (Human))	BDBM50359261 (CHEMBL1923617) Show SMILES CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C30H41ClN4O4/c1-5-20(2)27-30(38)35(4)21(3)28(36)34-25(19-22-12-14-24(31)15-13-22)29(37)33-16-8-10-23-9-6-7-11-26(23)39-18-17-32-27/h6-7,9,11-15,20-21,25,27,32H,5,8,10,16-19H2,1-4H3,(H,33,37)(H,34,36)/t20-,21+,25+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay				J Med Chem 54: 8305-20 (2011) Article DOI: 10.1021/jm2007062 BindingDB Entry DOI: 10.7270/Q2930TK0
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50002694 (MOTILIN) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)/t64-,65+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80+,81-,82-,83-,84-,85-,86-,96-,97-,98-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I]motilin from human MOTR				J Med Chem 49: 7190-7 (2006) Article DOI: 10.1021/jm0606600 BindingDB Entry DOI: 10.7270/Q2251JZH
					More data for this Ligand-Target Pair
Appetite-regulating hormone (Homo sapiens (Human))	BDBM50359239 (CHEMBL1923629) Show SMILES C[C@@H]1CN[C@@H](C2CCCCC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C33H45FN4O4/c1-22-21-36-30(26-11-5-4-6-12-26)33(41)38(3)23(2)31(39)37-28(20-24-15-17-27(34)18-16-24)32(40)35-19-9-13-25-10-7-8-14-29(25)42-22/h7-8,10,14-18,22-23,26,28,30,36H,4-6,9,11-13,19-21H2,1-3H3,(H,35,40)(H,37,39)/t22-,23-,28-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay				J Med Chem 54: 8305-20 (2011) Article DOI: 10.1021/jm2007062 BindingDB Entry DOI: 10.7270/Q2930TK0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50400806 (CHEMBL2204325) Show SMILES Clc1ccc2OCC(=O)NCC(=O)N[C@H](C3CCCCC3)C(=O)N3CCC[C@H]3C(=O)NCc2c1 |r| Show InChI InChI=1S/C24H31ClN4O5/c25-17-8-9-19-16(11-17)12-27-23(32)18-7-4-10-29(18)24(33)22(15-5-2-1-3-6-15)28-20(30)13-26-21(31)14-34-19/h8-9,11,15,18,22H,1-7,10,12-14H2,(H,26,31)(H,27,32)(H,28,30)/t18-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of thrombin				J Med Chem 54: 1961-2004 (2011) Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50131463 ((6S,12R)-25-Chloro-11-cyclohexyl-21-oxa-3,9,12,18-...) Show SMILES Clc1ccc2OCC(=O)NCCCCC(=O)N[C@H](C3CCCCC3)C(=O)N3CCC[C@H]3C(=O)NCc2c1 Show InChI InChI=1S/C27H37ClN4O5/c28-20-11-12-22-19(15-20)16-30-26(35)21-9-6-14-32(21)27(36)25(18-7-2-1-3-8-18)31-23(33)10-4-5-13-29-24(34)17-37-22/h11-12,15,18,21,25H,1-10,13-14,16-17H2,(H,29,34)(H,30,35)(H,31,33)/t21-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of thrombin				J Med Chem 54: 1961-2004 (2011) Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50131468 ((S)-24-Chloro-11-(R)-cyclohexyl-20-oxa-3,9,12,17-t...) Show SMILES Clc1ccc2OCC(=O)NCCCC(=O)N[C@H](C3CCCCC3)C(=O)N3CCC[C@H]3C(=O)NCc2c1 Show InChI InChI=1S/C26H35ClN4O5/c27-19-10-11-21-18(14-19)15-29-25(34)20-8-5-13-31(20)26(35)24(17-6-2-1-3-7-17)30-22(32)9-4-12-28-23(33)16-36-21/h10-11,14,17,20,24H,1-9,12-13,15-16H2,(H,28,33)(H,29,34)(H,30,32)/t20-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of thrombin				J Med Chem 54: 1961-2004 (2011) Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50331669 ((6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,...) Show SMILES Clc1ccc2OCC(=O)NCCC(=O)N[C@H](C3CCCCC3)C(=O)N3CCC[C@H]3C(=O)NCc2c1 |r| Show InChI InChI=1S/C25H33ClN4O5/c26-18-8-9-20-17(13-18)14-28-24(33)19-7-4-12-30(19)25(34)23(16-5-2-1-3-6-16)29-21(31)10-11-27-22(32)15-35-20/h8-9,13,16,19,23H,1-7,10-12,14-15H2,(H,27,32)(H,28,33)(H,29,31)/t19-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of thrombin				J Med Chem 54: 1961-2004 (2011) Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM93624 (5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4...) Show SMILES Cc1nc[nH]c1CN1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329746 (CHEMBL1271731 | endo-2-((3S,5S)-3,5-dimethylmorpho...) Show SMILES C[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21| Show InChI InChI=1S/C23H32N4O3/c1-14-12-29-13-15(2)27(14)23-25-21-19(8-5-9-20(21)30-23)22(28)24-16-10-17-6-4-7-18(11-16)26(17)3/h5,8-9,14-18H,4,6-7,10-13H2,1-3H3,(H,24,28)/t14-,15-,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
Appetite-regulating hormone (Homo sapiens (Human))	BDBM50359250 (CHEMBL1923640) Show SMILES C[C@H]1N(C)C(=O)[C@@H](NC[C@H]2CCc3cccc(CCCNC(=O)[C@@H](Cc4ccc(F)cc4)NC1=O)c3O2)C1CC1 |r| Show InChI InChI=1S/C31H39FN4O4/c1-19-29(37)35-26(17-20-8-13-24(32)14-9-20)30(38)33-16-4-7-22-5-3-6-23-12-15-25(40-28(22)23)18-34-27(21-10-11-21)31(39)36(19)2/h3,5-6,8-9,13-14,19,21,25-27,34H,4,7,10-12,15-18H2,1-2H3,(H,33,38)(H,35,37)/t19-,25-,26-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay				J Med Chem 54: 8305-20 (2011) Article DOI: 10.1021/jm2007062 BindingDB Entry DOI: 10.7270/Q2930TK0
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50359261 (CHEMBL1923617) Show SMILES CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C30H41ClN4O4/c1-5-20(2)27-30(38)35(4)21(3)28(36)34-25(19-22-12-14-24(31)15-13-22)29(37)33-16-8-10-23-9-6-7-11-26(23)39-18-17-32-27/h6-7,9,11-15,20-21,25,27,32H,5,8,10,16-19H2,1-4H3,(H,33,37)(H,34,36)/t20-,21+,25+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£ de Sherbrooke Curated by ChEMBL					Assay Description Agonist activity at ghrelin receptor by cell based assay				J Med Chem 54: 1961-2004 (2011) Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329748 (CHEMBL1271791 | endo-2-((3S,5S)-3-ethyl-5-methylmo...) Show SMILES CC[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:30:29:24.25.26:28.21.22| Show InChI InChI=1S/C24H34N4O3/c1-4-17-14-30-13-15(2)28(17)24-26-22-20(9-6-10-21(22)31-24)23(29)25-16-11-18-7-5-8-19(12-16)27(18)3/h6,9-10,15-19H,4-5,7-8,11-14H2,1-3H3,(H,25,29)/t15-,17-,18+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329745 (CHEMBL1271730 | endo-2-((S)-3-tert-butylmorpholino...) Show SMILES CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)N1CCOC[C@@H]1C(C)(C)C |r,TLB:0:1:3.4.5:7.8.9| Show InChI InChI=1S/C25H36N4O3/c1-25(2,3)21-15-31-12-11-29(21)24-27-22-19(9-6-10-20(22)32-24)23(30)26-16-13-17-7-5-8-18(14-16)28(17)4/h6,9-10,16-18,21H,5,7-8,11-15H2,1-4H3,(H,26,30)/t17-,18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458670 (CHEMBL4212838) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H26ClF3N2O5/c28-16-6-11-20-22(14-16)33(26(37)15-4-9-18(10-5-15)38-27(29,30)31)21-3-1-2-19(21)25(20)32(17-7-8-17)23(34)12-13-24(35)36/h4-6,9-11,14,17,19,21,25H,1-3,7-8,12-13H2,(H,35,36)/t19-,21+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329724 (CHEMBL1271960 | endo-2-((2S,6S)-2,6-dimethylpipera...) Show SMILES C[C@H]1CNC[C@H](C)N1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21| Show InChI InChI=1S/C23H33N5O2/c1-14-12-24-13-15(2)28(14)23-26-21-19(8-5-9-20(21)30-23)22(29)25-16-10-17-6-4-7-18(11-16)27(17)3/h5,8-9,14-18,24H,4,6-7,10-13H2,1-3H3,(H,25,29)/t14-,15-,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458673 (CHEMBL4207731) Show SMILES [H][C@@]12CC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[C@@H]2N(C1CC1)C(=O)OCC(O)=O |r| Show InChI InChI=1S/C25H23F3N2O6/c26-25(27,28)36-16-9-5-14(6-10-16)23(33)30-19-4-2-1-3-17(19)22(18-11-12-20(18)30)29(15-7-8-15)24(34)35-13-21(31)32/h1-6,9-10,15,18,20,22H,7-8,11-13H2,(H,31,32)/t18-,20+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Appetite-regulating hormone (Homo sapiens (Human))	BDBM50359252 (CHEMBL1923642) Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2cc(F)ccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H36F2N4O4/c1-18-27(36)34-24(16-19-5-10-22(30)11-6-19)28(37)33-13-3-4-20-9-12-23(31)17-25(20)39-15-14-32-26(21-7-8-21)29(38)35(18)2/h5-6,9-12,17-18,21,24,26,32H,3-4,7-8,13-16H2,1-2H3,(H,33,37)(H,34,36)/t18-,24-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay				J Med Chem 54: 8305-20 (2011) Article DOI: 10.1021/jm2007062 BindingDB Entry DOI: 10.7270/Q2930TK0
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458667 (CHEMBL4207935) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H26F4N2O5/c28-16-6-11-20-22(14-16)33(26(37)15-4-9-18(10-5-15)38-27(29,30)31)21-3-1-2-19(21)25(20)32(17-7-8-17)23(34)12-13-24(35)36/h4-6,9-11,14,17,19,21,25H,1-3,7-8,12-13H2,(H,35,36)/t19-,21+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458666 (CHEMBL4204359) Show SMILES OC(=O)CCC(=O)N(C1CC1)C1C2CCCC2N(C(=O)OCc2ccccc2)c2ccccc12 Show InChI InChI=1S/C27H30N2O5/c30-24(15-16-25(31)32)28(19-13-14-19)26-20-9-4-5-11-22(20)29(23-12-6-10-21(23)26)27(33)34-17-18-7-2-1-3-8-18/h1-5,7-9,11,19,21,23,26H,6,10,12-17H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458672 (CHEMBL4203572) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1cc(Cl)c(F)cc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H25ClF4N2O5/c28-19-13-22-18(12-20(19)29)25(33(15-6-7-15)23(35)10-11-24(36)37)17-2-1-3-21(17)34(22)26(38)14-4-8-16(9-5-14)39-27(30,31)32/h4-5,8-9,12-13,15,17,21,25H,1-3,6-7,10-11H2,(H,36,37)/t17-,21+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458652 (CHEMBL4202859) Show SMILES [H][C@@]12CC[C@]1([H])N(C(=O)c1ccc(F)cc1)c1ccccc1[C@@H]2N(C1CC1)C(=O)OCC(O)=O |r| Show InChI InChI=1S/C24H23FN2O5/c25-15-7-5-14(6-8-15)23(30)27-19-4-2-1-3-17(19)22(18-11-12-20(18)27)26(16-9-10-16)24(31)32-13-21(28)29/h1-8,16,18,20,22H,9-13H2,(H,28,29)/t18-,20+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329744 (CHEMBL1271678 | endo-2-((S)-3-isobutylmorpholino)-...) Show SMILES CC(C)C[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:31:30:25.26.27:29.22.23| Show InChI InChI=1S/C25H36N4O3/c1-16(2)12-20-15-31-11-10-29(20)25-27-23-21(8-5-9-22(23)32-25)24(30)26-17-13-18-6-4-7-19(14-17)28(18)3/h5,8-9,16-20H,4,6-7,10-15H2,1-3H3,(H,26,30)/t18-,19-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329742 (CHEMBL1271629 | endo-N-((1R,5R)-9-methyl-9-azabicy...) Show SMILES CCC[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:30:29:24.25.26:28.21.22| Show InChI InChI=1S/C24H34N4O3/c1-3-6-19-15-30-12-11-28(19)24-26-22-20(9-5-10-21(22)31-24)23(29)25-16-13-17-7-4-8-18(14-16)27(17)2/h5,9-10,16-19H,3-4,6-8,11-15H2,1-2H3,(H,25,29)/t17-,18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50403588 (CHEMBL1627015) Show SMILES O[C@H]1[C@@H](CC(=C[C@H]1OP(O)(O)=O)C([O-])=O)O[C@@](OP(O)(O)=O)(C(F)F)C(O)=O |c:4| Show InChI InChI=1S/C10H14F2O14P2/c11-8(12)10(9(16)17,26-28(21,22)23)24-4-1-3(7(14)15)2-5(6(4)13)25-27(18,19)20/h2,4-6,8,13H,1H2,(H,14,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)/p-1/t4-,5-,6+,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.				Bioorg Med Chem Lett 6: 2853-2858 (1996) Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458681 (CHEMBL4215576) Show SMILES [H][C@@]12CC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C26H25F3N2O5/c27-26(28,29)36-17-9-5-15(6-10-17)25(35)31-20-4-2-1-3-18(20)24(19-11-12-21(19)31)30(16-7-8-16)22(32)13-14-23(33)34/h1-6,9-10,16,19,21,24H,7-8,11-14H2,(H,33,34)/t19-,21+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458677 (CHEMBL4212084) Show SMILES [H][C@@]12CC[C@]1([H])N(C(=O)c1cccc(F)c1)c1ccccc1[C@@H]2N(C1CC1)C(=O)OCC(O)=O |r| Show InChI InChI=1S/C24H23FN2O5/c25-15-5-3-4-14(12-15)23(30)27-19-7-2-1-6-17(19)22(18-10-11-20(18)27)26(16-8-9-16)24(31)32-13-21(28)29/h1-7,12,16,18,20,22H,8-11,13H2,(H,28,29)/t18-,20+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Appetite-regulating hormone (Homo sapiens (Human))	BDBM50359259 (CHEMBL1923610) Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H38N4O4/c1-20-27(34)32-24(19-21-9-4-3-5-10-21)28(35)31-16-8-12-22-11-6-7-13-25(22)37-18-17-30-26(23-14-15-23)29(36)33(20)2/h3-7,9-11,13,20,23-24,26,30H,8,12,14-19H2,1-2H3,(H,31,35)(H,32,34)/t20-,24-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay				J Med Chem 54: 8305-20 (2011) Article DOI: 10.1021/jm2007062 BindingDB Entry DOI: 10.7270/Q2930TK0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329741 (CHEMBL1271628 | endo-2-((S)-3-ethylmorpholino)-N-(...) Show SMILES CC[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21| Show InChI InChI=1S/C23H32N4O3/c1-3-16-14-29-11-10-27(16)23-25-21-19(8-5-9-20(21)30-23)22(28)24-15-12-17-6-4-7-18(13-15)26(17)2/h5,8-9,15-18H,3-4,6-7,10-14H2,1-2H3,(H,24,28)/t16-,17+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329730 ((S)-2-amino-6-chloro-N-(quinuclidin-3-yl)benzo[d]o...) Show SMILES Nc1nc2c(cc(Cl)cc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:14.15,TLB:13:14:18.17:20.21,(4.69,-4.73,;3.15,-4.73,;2.24,-3.48,;.76,-3.96,;-.57,-3.2,;-1.9,-3.97,;-1.9,-5.51,;-3.24,-6.28,;-.57,-6.28,;.76,-5.51,;2.24,-5.99,;-.58,-1.66,;-1.91,-.89,;.76,-.88,;.75,.66,;.56,2.04,;2.02,2.68,;3.38,2.08,;3.65,.68,;2.28,1.32,;2.54,3.21,;2.09,4.32,)| Show InChI InChI=1S/C15H17ClN4O2/c16-9-5-10(13-12(6-9)22-15(17)19-13)14(21)18-11-7-20-3-1-8(11)2-4-20/h5-6,8,11H,1-4,7H2,(H2,17,19)(H,18,21)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
Appetite-regulating hormone (Homo sapiens (Human))	BDBM50359238 (CHEMBL1923628) Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)c(C)c2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C31H41FN4O4/c1-19-16-22(11-14-25(19)32)17-26-30(38)33-15-7-9-23-8-5-6-10-27(23)40-20(2)18-34-28(24-12-13-24)31(39)36(4)21(3)29(37)35-26/h5-6,8,10-11,14,16,20-21,24,26,28,34H,7,9,12-13,15,17-18H2,1-4H3,(H,33,38)(H,35,37)/t20-,21-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay				J Med Chem 54: 8305-20 (2011) Article DOI: 10.1021/jm2007062 BindingDB Entry DOI: 10.7270/Q2930TK0
					More data for this Ligand-Target Pair
Appetite-regulating hormone (Homo sapiens (Human))	BDBM50359238 (CHEMBL1923628) Show SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)c(C)c2)C(=O)NCCCc2ccccc2O1 |r| Show InChI InChI=1S/C31H41FN4O4/c1-19-16-22(11-14-25(19)32)17-26-30(38)33-15-7-9-23-8-5-6-10-27(23)40-20(2)18-34-28(24-12-13-24)31(39)36(4)21(3)29(37)35-26/h5-6,8,10-11,14,16,20-21,24,26,28,34H,7,9,12-13,15,17-18H2,1-4H3,(H,33,38)(H,35,37)/t20-,21-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay				J Med Chem 54: 8305-20 (2011) Article DOI: 10.1021/jm2007062 BindingDB Entry DOI: 10.7270/Q2930TK0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329743 (CHEMBL1271677 | endo-2-((S)-3-isopropylmorpholino)...) Show SMILES CC(C)[C@H]1COCCN1c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:30:29:24.25.26:28.21.22| Show InChI InChI=1S/C24H34N4O3/c1-15(2)20-14-30-11-10-28(20)24-26-22-19(8-5-9-21(22)31-24)23(29)25-16-12-17-6-4-7-18(13-16)27(17)3/h5,8-9,15-18,20H,4,6-7,10-14H2,1-3H3,(H,25,29)/t17-,18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458669 (CHEMBL4215049) Show SMILES [H][C@@]12CC[C@]1([H])N(C(=O)c1cccc(OC(F)(F)F)c1)c1ccccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C26H25F3N2O5/c27-26(28,29)36-17-5-3-4-15(14-17)25(35)31-20-7-2-1-6-18(20)24(19-10-11-21(19)31)30(16-8-9-16)22(32)12-13-23(33)34/h1-7,14,16,19,21,24H,8-13H2,(H,33,34)/t19-,21+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Appetite-regulating hormone (Homo sapiens (Human))	BDBM50359237 (CHEMBL1923627) Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(C)cc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C30H40N4O4/c1-20-10-12-22(13-11-20)19-25-29(36)32-16-6-8-23-7-4-5-9-26(23)38-18-17-31-27(24-14-15-24)30(37)34(3)21(2)28(35)33-25/h4-5,7,9-13,21,24-25,27,31H,6,8,14-19H2,1-3H3,(H,32,36)(H,33,35)/t21-,25-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay				J Med Chem 54: 8305-20 (2011) Article DOI: 10.1021/jm2007062 BindingDB Entry DOI: 10.7270/Q2930TK0
					More data for this Ligand-Target Pair
3-phosphoshikimate 1-carboxyvinyltransferase (Escherichia coli (strain K12))	BDBM50403587 (CHEMBL1627013) Show SMILES C[C@@](O[C@@H]1CC(=C[C@@H](OP(O)(O)=O)[C@H]1O)C([O-])=O)(C(O)=O)P(O)(O)=O |c:5| Show InChI InChI=1S/C10H16O13P2/c1-10(9(14)15,24(16,17)18)22-5-2-4(8(12)13)3-6(7(5)11)23-25(19,20)21/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/p-1/t5-,6-,7+,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.				Bioorg Med Chem Lett 6: 2853-2858 (1996) Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458663 (CHEMBL4208457) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H26F4N2O5/c28-16-6-11-22-20(14-16)25(32(17-7-8-17)23(34)12-13-24(35)36)19-2-1-3-21(19)33(22)26(37)15-4-9-18(10-5-15)38-27(29,30)31/h4-6,9-11,14,17,19,21,25H,1-3,7-8,12-13H2,(H,35,36)/t19-,21+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458688 (CHEMBL4213245) Show SMILES [H][C@@]12CCC[C@]1([H])N(C(=O)O[C@@H](C)c1ccc(F)cc1)c1ccccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C28H31FN2O5/c1-17(18-9-11-19(29)12-10-18)36-28(35)31-23-7-3-2-5-21(23)27(22-6-4-8-24(22)31)30(20-13-14-20)25(32)15-16-26(33)34/h2-3,5,7,9-12,17,20,22,24,27H,4,6,8,13-16H2,1H3,(H,33,34)/t17-,22+,24-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50359282 (CHEMBL1923609) Show SMILES CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C30H42N4O4/c1-5-21(2)27-30(37)34(4)22(3)28(35)33-25(20-23-12-7-6-8-13-23)29(36)32-17-11-15-24-14-9-10-16-26(24)38-19-18-31-27/h6-10,12-14,16,21-22,25,27,31H,5,11,15,17-20H2,1-4H3,(H,32,36)(H,33,35)/t21-,22+,25+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£ de Sherbrooke Curated by ChEMBL					Assay Description Agonist activity at ghrelin receptor by cell based assay				J Med Chem 54: 1961-2004 (2011) Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV
					More data for this Ligand-Target Pair
Appetite-regulating hormone (Homo sapiens (Human))	BDBM50359233 (CHEMBL1923623) Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2F)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H37FN4O4/c1-19-27(35)33-24(18-22-9-3-5-11-23(22)30)28(36)32-15-7-10-20-8-4-6-12-25(20)38-17-16-31-26(21-13-14-21)29(37)34(19)2/h3-6,8-9,11-12,19,21,24,26,31H,7,10,13-18H2,1-2H3,(H,32,36)(H,33,35)/t19-,24-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay				J Med Chem 54: 8305-20 (2011) Article DOI: 10.1021/jm2007062 BindingDB Entry DOI: 10.7270/Q2930TK0
					More data for this Ligand-Target Pair
Appetite-regulating hormone (Homo sapiens (Human))	BDBM50359282 (CHEMBL1923609) Show SMILES CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O |r| Show InChI InChI=1S/C30H42N4O4/c1-5-21(2)27-30(37)34(4)22(3)28(35)33-25(20-23-12-7-6-8-13-23)29(36)32-17-11-15-24-14-9-10-16-26(24)38-19-18-31-27/h6-10,12-14,16,21-22,25,27,31H,5,11,15,17-20H2,1-4H3,(H,32,36)(H,33,35)/t21-,22+,25+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay				J Med Chem 54: 8305-20 (2011) Article DOI: 10.1021/jm2007062 BindingDB Entry DOI: 10.7270/Q2930TK0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50329747 (2-((3S,5S)-3,5-dimethylmorpholino)-N-((S)-quinucli...) Show SMILES C[C@H]1COC[C@H](C)N1c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wU:1.0,wD:20.22,5.5,TLB:19:20:24.23:26.27,(46.08,-23.8,;46.85,-25.13,;48.39,-25.12,;49.17,-26.46,;48.39,-27.8,;46.86,-27.8,;46.08,-29.13,;46.09,-26.46,;44.55,-26.46,;43.64,-25.21,;42.16,-25.69,;40.83,-24.93,;39.5,-25.7,;39.5,-27.24,;40.83,-28.01,;42.17,-27.24,;43.64,-27.72,;40.82,-23.39,;39.49,-22.62,;42.16,-22.61,;42.15,-21.07,;41.96,-19.69,;43.43,-19.05,;44.78,-19.65,;45.05,-21.05,;43.69,-20.41,;43.94,-18.52,;43.5,-17.41,)| Show InChI InChI=1S/C21H28N4O3/c1-13-11-27-12-14(2)25(13)21-23-19-16(4-3-5-18(19)28-21)20(26)22-17-10-24-8-6-15(17)7-9-24/h3-5,13-15,17H,6-12H2,1-2H3,(H,22,26)/t13-,14-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
Appetite-regulating hormone (Homo sapiens (Human))	BDBM50359236 (CHEMBL1923626) Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(cc2)C(F)(F)F)NC1=O)C1CC1 |r| Show InChI InChI=1S/C30H37F3N4O4/c1-19-27(38)36-24(18-20-9-13-23(14-10-20)30(31,32)33)28(39)35-15-5-7-21-6-3-4-8-25(21)41-17-16-34-26(22-11-12-22)29(40)37(19)2/h3-4,6,8-10,13-14,19,22,24,26,34H,5,7,11-12,15-18H2,1-2H3,(H,35,39)(H,36,38)/t19-,24-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay				J Med Chem 54: 8305-20 (2011) Article DOI: 10.1021/jm2007062 BindingDB Entry DOI: 10.7270/Q2930TK0
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458683 (CHEMBL4203786) Show SMILES [H][C@]12CCC[C@]1([H])N(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C27H27F3N2O5/c28-27(29,30)37-18-12-8-16(9-13-18)26(36)32-21-6-2-1-4-19(21)25(20-5-3-7-22(20)32)31(17-10-11-17)23(33)14-15-24(34)35/h1-2,4,6,8-9,12-13,17,20,22,25H,3,5,7,10-11,14-15H2,(H,34,35)/t20-,22-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458671 (CHEMBL4210620) Show SMILES [H][C@@]12CC[C@]1([H])N(C(=O)c1ccc(F)cc1)c1ccccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C25H25FN2O4/c26-16-7-5-15(6-8-16)25(32)28-20-4-2-1-3-18(20)24(19-11-12-21(19)28)27(17-9-10-17)22(29)13-14-23(30)31/h1-8,17,19,21,24H,9-14H2,(H,30,31)/t19-,21+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair
Appetite-regulating hormone (Homo sapiens (Human))	BDBM50359235 (CHEMBL1923625) Show SMILES C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1 |r| Show InChI InChI=1S/C29H37FN4O4/c1-19-27(35)33-24(18-20-9-13-23(30)14-10-20)28(36)32-15-5-7-21-6-3-4-8-25(21)38-17-16-31-26(22-11-12-22)29(37)34(19)2/h3-4,6,8-10,13-14,19,22,24,26,31H,5,7,11-12,15-18H2,1-2H3,(H,32,36)(H,33,35)/t19-,24-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay				J Med Chem 54: 8305-20 (2011) Article DOI: 10.1021/jm2007062 BindingDB Entry DOI: 10.7270/Q2930TK0
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50199368 ((9R,12R,15S)-12-isopropyl-9-(4-methoxy-benzyl)-15-...) Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O)C(C)C Show InChI InChI=1S/C31H44N4O5/c1-5-9-25-29(36)33-17-8-11-23-10-6-7-12-27(23)40-19-18-32-26(20-22-13-15-24(39-4)16-14-22)30(37)35-28(21(2)3)31(38)34-25/h6-7,10,12-16,21,25-26,28,32H,5,8-9,11,17-20H2,1-4H3,(H,33,36)(H,34,38)(H,35,37)/t25-,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I]motilin from human MOTR				J Med Chem 49: 7190-7 (2006) Article DOI: 10.1021/jm0606600 BindingDB Entry DOI: 10.7270/Q2251JZH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50458659 (CHEMBL4203383) Show SMILES [H][C@@]12CC[C@]1([H])N(C(=O)c1cccc(F)c1)c1ccccc1[C@@H]2N(C1CC1)C(=O)CCC(O)=O |r| Show InChI InChI=1S/C25H25FN2O4/c26-16-5-3-4-15(14-16)25(32)28-20-7-2-1-6-18(20)24(19-10-11-21(19)28)27(17-8-9-17)22(29)12-13-23(30)31/h1-7,14,17,19,21,24H,8-13H2,(H,30,31)/t19-,21+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method				ACS Med Chem Lett 9: 679-684 (2018) Article DOI: 10.1021/acsmedchemlett.8b00145 BindingDB Entry DOI: 10.7270/Q2F47RRN
					More data for this Ligand-Target Pair

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