Compile Data Set for Download or QSAR

Found 4627 hits with Last Name = 'lan' and Initial = 'y'   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50598866 (CHEMBL5205530) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:4.5.6:17| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00014 BindingDB Entry DOI: 10.7270/Q2QJ7N96
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50598866 (CHEMBL5205530) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(C1)[C@H](O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:4.5.6:17| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00014 BindingDB Entry DOI: 10.7270/Q2QJ7N96
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50512456 (CHEMBL4469414) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,22.25,(48.46,-32.37,;49.53,-31.26,;49.1,-29.78,;50.17,-28.67,;51.66,-29.03,;52.09,-30.5,;51.03,-31.63,;51.46,-33.1,;50.39,-34.22,;52.95,-33.47,;54.02,-32.36,;55.49,-31.92,;54.38,-30.85,;49.74,-27.2,;50.69,-25.98,;49.82,-24.7,;48.34,-25.14,;47.04,-24.33,;47.09,-22.79,;45.78,-21.98,;44.42,-22.71,;43.98,-24.18,;42.51,-23.74,;41.01,-23.33,;41.41,-24.82,;42.95,-22.26,;45.69,-25.06,;45.64,-26.6,;44.29,-27.33,;44.25,-28.87,;42.89,-29.59,;42.85,-31.13,;44.16,-31.94,;45.52,-31.2,;45.56,-29.66,;46.95,-27.4,;48.29,-26.68,)| Show InChI InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)/t18-,28+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...				ACS Med Chem Lett 7: 671-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00485 BindingDB Entry DOI: 10.7270/Q2K35Z46
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50512456 (CHEMBL4469414) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,22.25,(48.46,-32.37,;49.53,-31.26,;49.1,-29.78,;50.17,-28.67,;51.66,-29.03,;52.09,-30.5,;51.03,-31.63,;51.46,-33.1,;50.39,-34.22,;52.95,-33.47,;54.02,-32.36,;55.49,-31.92,;54.38,-30.85,;49.74,-27.2,;50.69,-25.98,;49.82,-24.7,;48.34,-25.14,;47.04,-24.33,;47.09,-22.79,;45.78,-21.98,;44.42,-22.71,;43.98,-24.18,;42.51,-23.74,;41.01,-23.33,;41.41,-24.82,;42.95,-22.26,;45.69,-25.06,;45.64,-26.6,;44.29,-27.33,;44.25,-28.87,;42.89,-29.59,;42.85,-31.13,;44.16,-31.94,;45.52,-31.2,;45.56,-29.66,;46.95,-27.4,;48.29,-26.68,)| Show InChI InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)/t18-,28+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...				ACS Med Chem Lett 7: 671-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00485 BindingDB Entry DOI: 10.7270/Q2K35Z46
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277668 ((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...) Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r| Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277629 (2-(9-(2,4-dichlorophenylthio)-1-isopropyl-7,8-dihy...) Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3Cl)c12 Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-15(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-16-4-3-13(22)10-14(16)23/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277631 (2-(1-isopropyl-9-(2,4,5-trichlorophenylthio)-7,8-d...) Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3cc(Cl)c(Cl)cc3Cl)c12 Show InChI InChI=1S/C21H19Cl3N2O2S/c1-10(2)19-18-15(3-5-25-19)26-6-4-11(7-17(27)28)20(26)21(18)29-16-9-13(23)12(22)8-14(16)24/h3,5,8-11H,4,6-7H2,1-2H3,(H,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277577 (2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-dihy...) Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50161746 ((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...) Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to thromboxane receptor				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277632 ((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...) Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r| Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277630 (2-(1-isopropyl-9-(4-(trifluoromethyl)phenylthio)-7...) Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(cc3)C(F)(F)F)c12 Show InChI InChI=1S/C22H21F3N2O2S/c1-12(2)19-18-16(7-9-26-19)27-10-8-13(11-17(28)29)20(27)21(18)30-15-5-3-14(4-6-15)22(23,24)25/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,28,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (GUINEA PIG)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50081537 (CHEMBL3422092) Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 |r,@:7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Competitive inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate by Lineweaver-Burk plot analysis in prese...				J Med Chem 58: 3366-92 (2015) Article DOI: 10.1021/jm501740a BindingDB Entry DOI: 10.7270/Q2Q52RCN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277575 (2-(9-(4-chlorophenylthio)-1-isopropyl-7,8-dihydro-...) Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C21H21ClN2O2S/c1-12(2)19-18-16(7-9-23-19)24-10-8-13(11-17(25)26)20(24)21(18)27-15-5-3-14(22)4-6-15/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277573 (2-(1-(cyclopropylmethyl)-9-(3,4-dichlorophenylthio...) Show SMILES OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc21 Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-4-3-14(11-16(15)24)29-22-20-17(9-12-1-2-12)25-7-5-18(20)26-8-6-13(21(22)26)10-19(27)28/h3-5,7,11-13H,1-2,6,8-10H2,(H,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50183019 (CHEMBL3819210) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12 Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Competitive inhibition of TTK (unknown origin) by double reciprocal plot analysis in presence of ATP				Bioorg Med Chem Lett 26: 3562-6 (2016) Article DOI: 10.1016/j.bmcl.2016.06.021 BindingDB Entry DOI: 10.7270/Q28G8NNB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50005708 (CHEMBL3235459) Show SMILES CC1CCN(CCCOc2ccc3CCC(=O)N(Cc4ccc(F)cc4)c3c2)CC1 Show InChI InChI=1S/C25H31FN2O2/c1-19-11-14-27(15-12-19)13-2-16-30-23-9-5-21-6-10-25(29)28(24(21)17-23)18-20-3-7-22(26)8-4-20/h3-5,7-9,17,19H,2,6,10-16,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin Hartley guinea pig membrane after 180 mins by liquid scintillation counting anal...				Eur J Med Chem 79: 216-30 (2014) Article DOI: 10.1016/j.ejmech.2014.04.019 BindingDB Entry DOI: 10.7270/Q20003MX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277540 (2-(1-cyclopropyl-9-(3,4-dichlorophenylthio)-7,8-di...) Show SMILES OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(nccc21)C1CC1 Show InChI InChI=1S/C21H18Cl2N2O2S/c22-14-4-3-13(10-15(14)23)28-21-18-16(5-7-24-19(18)11-1-2-11)25-8-6-12(20(21)25)9-17(26)27/h3-5,7,10-12H,1-2,6,8-9H2,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277576 (2-(10-(3,4-dichlorophenylthio)-1-isopropyl-6,7,8,9...) Show SMILES CC(C)c1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C22H22Cl2N2O2S/c1-12(2)20-19-17(7-8-25-20)26-9-3-4-13(10-18(27)28)21(26)22(19)29-14-5-6-15(23)16(24)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277443 ((+/-)-2-(5-(4-chlorophenylthio)-4-isopropyl-6,7,8,...) Show SMILES CC(C)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H23ClN2O2S/c1-13(2)17-9-10-24-22-19(17)21(28-16-7-5-15(23)6-8-16)20-14(12-18(26)27)4-3-11-25(20)22/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277538 (2-(9-(3,4-dichlorophenylthio)-1-ethyl-7,8-dihydro-...) Show SMILES CCc1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C20H18Cl2N2O2S/c1-2-15-18-16(5-7-23-15)24-8-6-11(9-17(25)26)19(24)20(18)27-12-3-4-13(21)14(22)10-12/h3-5,7,10-11H,2,6,8-9H2,1H3,(H,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50034089 (CHEMBL3359238) Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C19H22ClF2N3O/c1-13-17(20)19(26-11-5-10-25-8-3-2-4-9-25)24-18(23-13)14-6-7-15(21)16(22)12-14/h6-7,12H,2-5,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...				J Med Chem 57: 10404-23 (2014) Article DOI: 10.1021/jm501207r BindingDB Entry DOI: 10.7270/Q2XD138B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277537 (2-(10-(3,4-dichlorophenylthio)-1-ethyl-6,7,8,9-tet...) Show SMILES CCc1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C21H20Cl2N2O2S/c1-2-16-19-17(7-8-24-16)25-9-3-4-12(10-18(26)27)20(25)21(19)28-13-5-6-14(22)15(23)11-13/h5-8,11-12H,2-4,9-10H2,1H3,(H,26,27)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277479 (2-(9-(3,4-dichlorophenylthio)-1-phenyl-7,8-dihydro...) Show SMILES OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(nccc21)-c1ccccc1 Show InChI InChI=1S/C24H18Cl2N2O2S/c25-17-7-6-16(13-18(17)26)31-24-21-19(28-11-9-15(23(24)28)12-20(29)30)8-10-27-22(21)14-4-2-1-3-5-14/h1-8,10,13,15H,9,11-12H2,(H,29,30)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277541 (2-(1-(cyclopropylmethyl)-10-(3,4-dichlorophenylthi...) Show SMILES OC(=O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc21 Show InChI InChI=1S/C23H22Cl2N2O2S/c24-16-6-5-15(12-17(16)25)30-23-21-18(10-13-3-4-13)26-8-7-19(21)27-9-1-2-14(22(23)27)11-20(28)29/h5-8,12-14H,1-4,9-11H2,(H,28,29)	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50333841 ((R)-2-(3,4-difluoro-7-(4-fluoro-N-methylphenylsulf...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(F)c(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H19F3N2O4S/c1-25(31(29,30)14-5-2-12(22)3-6-14)13-4-9-18-16(10-19(27)28)15-7-8-17(23)20(24)21(15)26(18)11-13/h2-3,5-8,13H,4,9-11H2,1H3,(H,27,28)/t13-/m1/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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50005672 (CHEMBL3235447) Show SMILES CC1CCN(CCCOc2ccc3CCC(=O)N(Cc4ccccc4)c3c2)CC1 Show InChI InChI=1S/C25H32N2O2/c1-20-12-15-26(16-13-20)14-5-17-29-23-10-8-22-9-11-25(28)27(24(22)18-23)19-21-6-3-2-4-7-21/h2-4,6-8,10,18,20H,5,9,11-17,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin Hartley guinea pig membrane after 180 mins by liquid scintillation counting anal...				Eur J Med Chem 79: 216-30 (2014) Article DOI: 10.1016/j.ejmech.2014.04.019 BindingDB Entry DOI: 10.7270/Q20003MX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50511258 (CHEMBL4438046) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:55,THB:10:9:17:4.5.6| Show InChI InChI=1S/C66H78N10O12S2/c1-63(2)46-33-42(89(82,83)84)20-23-49(46)74(5)52(63)13-8-6-9-14-53-64(3,4)47-34-43(90(85,86)87)21-24-50(47)76(53)29-11-7-10-15-55(78)70-37-57(80)71-36-56(79)68-27-12-28-69-62(67)72-41-19-22-48-44(32-41)45-35-66(81)54-31-40-18-25-51(77)60-58(40)65(66,61(88-60)59(45)73-48)26-30-75(54)38-39-16-17-39/h6,8-9,13-14,18-25,32-34,39,54,61,73,81H,7,10-12,15-17,26-31,35-38H2,1-5H3,(H8-,67,68,69,70,71,72,77,78,79,80,82,83,84,85,86,87)/t54-,61+,65+,66-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from recombinant human KOR transiently expressed in HEK293 cell membranes measured after 60 mins				J Med Chem 63: 3596-3609 (2020) Article DOI: 10.1021/acs.jmedchem.9b02011 BindingDB Entry DOI: 10.7270/Q2445QTK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50034088 (CHEMBL3359237) Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(F)cc1 Show InChI InChI=1S/C19H23ClFN3O/c1-14-17(20)19(25-13-5-12-24-10-3-2-4-11-24)23-18(22-14)15-6-8-16(21)9-7-15/h6-9H,2-5,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...				J Med Chem 57: 10404-23 (2014) Article DOI: 10.1021/jm501207r BindingDB Entry DOI: 10.7270/Q2XD138B
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50034090 (CHEMBL3359239) Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H23Cl2N3O/c1-14-17(21)19(25-13-5-12-24-10-3-2-4-11-24)23-18(22-14)15-6-8-16(20)9-7-15/h6-9H,2-5,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counti...				J Med Chem 57: 10404-23 (2014) Article DOI: 10.1021/jm501207r BindingDB Entry DOI: 10.7270/Q2XD138B
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277574 (2-(10-(3,4-dichlorophenylthio)-1-propyl-6,7,8,9-te...) Show SMILES CCCc1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C22H22Cl2N2O2S/c1-2-4-17-20-18(8-9-25-17)26-10-3-5-13(11-19(27)28)21(26)22(20)29-14-6-7-15(23)16(24)12-14/h6-9,12-13H,2-5,10-11H2,1H3,(H,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50333868 ((R)-2-(3-fluoro-7-(4-fluoro-N-methylphenylsulfonam...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)16-6-2-13(22)3-7-16)15-5-9-19-18(11-21(26)27)17-8-4-14(23)10-20(17)25(19)12-15/h2-4,6-8,10,15H,5,9,11-12H2,1H3,(H,26,27)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50333869 ((R)-2-(3-chloro-7-(4-fluoro-N-methylphenylsulfonam...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20ClFN2O4S/c1-24(30(28,29)16-6-3-14(23)4-7-16)15-5-9-19-18(11-21(26)27)17-8-2-13(22)10-20(17)25(19)12-15/h2-4,6-8,10,15H,5,9,11-12H2,1H3,(H,26,27)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50005692 (CHEMBL3235455) Show SMILES Fc1ccc(CN2C(=O)CCc3ccc(OCCCN4CCCCC4)cc23)cc1 Show InChI InChI=1S/C24H29FN2O2/c25-21-9-5-19(6-10-21)18-27-23-17-22(11-7-20(23)8-12-24(27)28)29-16-4-15-26-13-2-1-3-14-26/h5-7,9-11,17H,1-4,8,12-16,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin Hartley guinea pig membrane after 180 mins by liquid scintillation counting anal...				Eur J Med Chem 79: 216-30 (2014) Article DOI: 10.1016/j.ejmech.2014.04.019 BindingDB Entry DOI: 10.7270/Q20003MX
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277628 (2-(9-(2,6-dichlorophenylthio)-1-isopropyl-7,8-dihy...) Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3c(Cl)cccc3Cl)c12 Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)18-17-15(6-8-24-18)25-9-7-12(10-16(26)27)19(25)21(17)28-20-13(22)4-3-5-14(20)23/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277988 ((+/-)-2-(5-(3,4-dichlorophenylthio)-4-(methylsulfo...) Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-12-4-5-13(21)14(22)10-12)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277444 (2-(10-(3,4-dichlorophenylthio)-1-(methylsulfonyl)-...) Show SMILES CS(=O)(=O)c1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)20-17-15(6-7-23-20)24-8-2-3-11(9-16(25)26)18(24)19(17)29-12-4-5-13(21)14(22)10-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50176065 (4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Homo sapiens (Human))	BDBM50277445 (2-(9-(3,4-dichlorophenylthio)-1-(methylsulfonyl)-7...) Show SMILES CS(=O)(=O)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C19H16Cl2N2O4S2/c1-29(26,27)19-16-14(4-6-22-19)23-7-5-10(8-15(24)25)17(23)18(16)28-11-2-3-12(20)13(21)9-11/h2-4,6,9-10H,5,7-8H2,1H3,(H,24,25)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 19: 2125-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.010 BindingDB Entry DOI: 10.7270/Q2W9593R
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50333850 ((R)-2-(7-(4-fluoro-N-(4-fluorobenzyl)phenylsulfona...) Show SMILES OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H24F2N2O4S/c28-19-7-5-18(6-8-19)16-31(36(34,35)22-12-9-20(29)10-13-22)21-11-14-26-24(15-27(32)33)23-3-1-2-4-25(23)30(26)17-21/h1-10,12-13,21H,11,14-17H2,(H,32,33)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50170036 (CHEMBL3805396) Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCCN2CCCCC2)ccc1=O Show InChI InChI=1S/C18H21Cl2N3O2/c19-15-6-5-14(13-16(15)20)23-18(24)8-7-17(21-23)25-12-4-11-22-9-2-1-3-10-22/h5-8,13H,1-4,9-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 180 mins by liquid scintillation counting...				J Med Chem 59: 2942-61 (2016) Article DOI: 10.1021/acs.jmedchem.5b01416 BindingDB Entry DOI: 10.7270/Q2C82C77
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50511255 (CHEMBL4463414) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:47,THB:10:9:17:4.5.6| Show InChI InChI=1S/C62H72N8O10S2/c1-59(2)44-33-40(81(74,75)76)20-23-47(44)68(5)50(59)13-8-6-9-14-51-60(3,4)45-34-41(82(77,78)79)21-24-48(45)70(51)29-11-7-10-15-53(72)64-27-12-28-65-58(63)66-39-19-22-46-42(32-39)43-35-62(73)52-31-38-18-25-49(71)56-54(38)61(62,57(80-56)55(43)67-46)26-30-69(52)36-37-16-17-37/h6,8-9,13-14,18-25,32-34,37,52,57,67,73H,7,10-12,15-17,26-31,35-36H2,1-5H3,(H6-,63,64,65,66,71,72,74,75,76,77,78,79)/t52-,57+,61+,62-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from recombinant human KOR transiently expressed in HEK293 cell membranes measured after 60 mins				J Med Chem 63: 3596-3609 (2020) Article DOI: 10.1021/acs.jmedchem.9b02011 BindingDB Entry DOI: 10.7270/Q2445QTK
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	1.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Louis Pasteur-Strasbourg Curated by PDSP Ki Database									J Pharmacol Exp Ther 250: 309-15 (1989) BindingDB Entry DOI: 10.7270/Q2KP80NB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50005707 (CHEMBL3235458) Show SMILES CC1CCN(CCCOc2ccc3CCC(=O)N(Cc4ccc(C)cc4)c3c2)CC1 Show InChI InChI=1S/C26H34N2O2/c1-20-4-6-22(7-5-20)19-28-25-18-24(10-8-23(25)9-11-26(28)29)30-17-3-14-27-15-12-21(2)13-16-27/h4-8,10,18,21H,3,9,11-17,19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin Hartley guinea pig membrane after 180 mins by liquid scintillation counting anal...				Eur J Med Chem 79: 216-30 (2014) Article DOI: 10.1016/j.ejmech.2014.04.019 BindingDB Entry DOI: 10.7270/Q20003MX
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50161745 (CHEMBL179036 | {3-[((R)-4-Fluoro-benzenesulfonyl)-...) Show SMILES CN([C@@H]1CCc2c(C1)c1ccccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50333848 ((R)-2-(7-(4-fluoro-N-pentylphenylsulfonamido)-6,7,...) Show SMILES CCCCCN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H29FN2O4S/c1-2-3-6-15-28(33(31,32)20-12-9-18(26)10-13-20)19-11-14-24-22(16-25(29)30)21-7-4-5-8-23(21)27(24)17-19/h4-5,7-10,12-13,19H,2-3,6,11,14-17H2,1H3,(H,29,30)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50333844 ((R)-2-(4-fluoro-7-(4-fluoro-N-methylphenylsulfonam...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)15-8-5-13(22)6-9-15)14-7-10-19-17(11-20(26)27)16-3-2-4-18(23)21(16)25(19)12-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,26,27)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay				Bioorg Med Chem Lett 21: 288-93 (2010) Article DOI: 10.1016/j.bmcl.2010.11.015 BindingDB Entry DOI: 10.7270/Q2959HTH
					More data for this Ligand-Target Pair

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