Compile Data Set for Download or QSAR

Found 1890 hits with Last Name = 'hurst' and Initial = 'd'   

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
Replicase polyprotein 1ab (BtCoV)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PDB UniChem	WIPO WO2021205298	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...				Citation and Details BindingDB Entry DOI: 10.7270/Q232001P
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (BtCoV)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PDB UniChem	WIPO WO2021205298	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...				Citation and Details BindingDB Entry DOI: 10.7270/Q232001P
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50233601 (CHEMBL4062745) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCC#N |r,c:4| Show InChI InChI=1S/C25H33NO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10,12-13H2,1-5H3/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method				J Med Chem 58: 665-81 (2015) Article DOI: 10.1021/jm501165d BindingDB Entry DOI: 10.7270/Q2K076HR
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Feline coronavirus (strain FIPV WSU-79/1146) (FCoV...)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PDB UniChem	WIPO WO2021205298	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...				Citation and Details BindingDB Entry DOI: 10.7270/Q232001P
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029978 (CHEMBL3353441) Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O |r,wU:4.7,1.0,(16.02,-5.47,;14.69,-6.25,;14.69,-7.79,;13.37,-8.56,;12.03,-7.79,;12.02,-6.26,;13.35,-5.48,;10.7,-8.57,;9.36,-7.8,;9.35,-6.26,;8.03,-8.58,;6.69,-7.82,;5.37,-8.6,;4.03,-7.83,;2.7,-8.6,;1.37,-7.83,;2.7,-10.15,;4.04,-10.92,;5.37,-10.14,;6.7,-10.91,;6.71,-12.45,;8.04,-13.21,;8.04,-14.75,;9.37,-15.52,;10.71,-14.74,;12.04,-15.51,;10.7,-13.19,;9.36,-12.43,;8.04,-10.13,;9.38,-10.9,)| Show InChI InChI=1S/C23H23BrFN3O2/c1-14-2-8-19(9-3-14)27-22(29)20-11-16-10-17(24)12-26-21(16)28(23(20)30)13-15-4-6-18(25)7-5-15/h4-7,10-12,14,19H,2-3,8-9,13H2,1H3,(H,27,29)/t14-,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444496 (CHEMBL3092650) Show SMILES O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from rat histamine H3 receptor expressed in HEK293 cells after 45 mins by liquid scintillation spectromet...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029963 (CHEMBL3353452) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(CCN2CCOCC2)c1=O)-c1cccs1 |(26.44,-2.21,;25.11,-2.98,;25.11,-4.52,;23.79,-5.29,;22.45,-4.52,;22.44,-2.99,;23.77,-2.21,;21.12,-5.3,;19.78,-4.54,;19.77,-3,;18.45,-5.31,;17.12,-4.55,;15.79,-5.33,;14.46,-4.56,;13.13,-5.33,;13.13,-6.88,;14.46,-7.65,;15.79,-6.87,;17.13,-7.64,;17.13,-9.17,;18.46,-9.94,;18.47,-11.48,;17.14,-12.25,;17.14,-13.78,;18.47,-14.56,;19.81,-13.79,;19.81,-12.24,;18.46,-6.86,;19.8,-7.63,;11.79,-4.56,;10.38,-5.19,;9.35,-4.05,;10.12,-2.71,;11.63,-3.03,)| Show InChI InChI=1S/C26H32N4O3S/c1-18-4-6-21(7-5-18)28-25(31)22-16-19-15-20(23-3-2-14-34-23)17-27-24(19)30(26(22)32)9-8-29-10-12-33-13-11-29/h2-3,14-18,21H,4-13H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029958 (CHEMBL3353439) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O |(16.02,-5.47,;14.69,-6.25,;14.69,-7.79,;13.37,-8.56,;12.03,-7.79,;12.02,-6.26,;13.35,-5.48,;10.7,-8.57,;9.36,-7.8,;9.35,-6.26,;8.03,-8.58,;6.69,-7.82,;5.37,-8.6,;4.03,-7.83,;2.7,-8.6,;1.37,-7.83,;2.7,-10.15,;4.04,-10.92,;5.37,-10.14,;6.7,-10.91,;6.71,-12.45,;8.04,-13.21,;8.04,-14.75,;9.37,-15.52,;10.71,-14.74,;12.04,-15.51,;10.7,-13.19,;9.36,-12.43,;8.04,-10.13,;9.38,-10.9,)| Show InChI InChI=1S/C23H23BrFN3O2/c1-14-2-8-19(9-3-14)27-22(29)20-11-16-10-17(24)12-26-21(16)28(23(20)30)13-15-4-6-18(25)7-5-15/h4-7,10-12,14,19H,2-3,8-9,13H2,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444491 (CHEMBL3092823) Show SMILES O=C1CCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C22H25N3O2/c26-22-10-13-25(22)19-5-7-21(23-15-19)27-20-6-4-16-8-11-24(18-2-1-3-18)12-9-17(16)14-20/h4-7,14-15,18H,1-3,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50071112 (CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...) Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 281: 1303-11 (1997) BindingDB Entry DOI: 10.7270/Q2K35S61
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50475465 (CHEMBL196410) Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(cccc12)N1CCNCC1 Show InChI InChI=1S/C18H18ClN3O2S/c19-14-3-1-4-15(13-14)25(23,24)22-10-7-16-17(5-2-6-18(16)22)21-11-8-20-9-12-21/h1-7,10,13,20H,8-9,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells				Bioorg Med Chem Lett 15: 4867-71 (2005) Article DOI: 10.1016/j.bmcl.2005.06.107 BindingDB Entry DOI: 10.7270/Q2028V9Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029962 (CHEMBL3353450) Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1ccco1 |r,wU:4.7,1.0,(23.36,-18.24,;22.03,-19.01,;22.03,-20.55,;20.71,-21.32,;19.37,-20.55,;19.36,-19.02,;20.69,-18.24,;18.04,-21.33,;16.7,-20.57,;16.69,-19.03,;15.37,-21.34,;14.04,-20.58,;12.71,-21.36,;11.37,-20.59,;10.05,-21.36,;10.04,-22.91,;11.38,-23.68,;12.71,-22.9,;14.05,-23.67,;14.05,-25.21,;15.38,-25.97,;15.38,-27.51,;16.71,-28.28,;18.05,-27.5,;19.38,-28.27,;18.04,-25.96,;16.71,-25.2,;15.38,-22.89,;16.72,-23.66,;8.71,-20.59,;7.3,-21.22,;6.26,-20.08,;7.03,-18.74,;8.54,-19.06,)| Show InChI InChI=1S/C27H26FN3O3/c1-17-4-10-22(11-5-17)30-26(32)23-14-19-13-20(24-3-2-12-34-24)15-29-25(19)31(27(23)33)16-18-6-8-21(28)9-7-18/h2-3,6-9,12-15,17,22H,4-5,10-11,16H2,1H3,(H,30,32)/t17-,22+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kennesaw State University Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand				J Med Chem 41: 5177-87 (1999) Article DOI: 10.1021/jm9801197 BindingDB Entry DOI: 10.7270/Q2ST7QJJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50233599 (CHEMBL3104360) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r,c:4| Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method				J Med Chem 58: 665-81 (2015) Article DOI: 10.1021/jm501165d BindingDB Entry DOI: 10.7270/Q2K076HR
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (PEDV)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PDB UniChem	WIPO WO2021205298	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...				Citation and Details BindingDB Entry DOI: 10.7270/Q232001P
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50160917 (3-(3-(2-(benzyloxy)-5-chlorophenyl)thiophen-2-yl)b...) Show SMILES OC(=O)c1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C24H17ClO3S/c25-19-9-10-22(28-15-16-5-2-1-3-6-16)21(14-19)20-11-12-29-23(20)17-7-4-8-18(13-17)24(26)27/h1-14H,15H2,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against PGE2 activated EP1 receptor assessed as ability to inhibit intracellular calcium mobilisation by FLIPR				Bioorg Med Chem Lett 16: 2666-71 (2006) Article DOI: 10.1016/j.bmcl.2006.02.014 BindingDB Entry DOI: 10.7270/Q2J102RM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50233619 (CHEMBL4085404 | US10882838, Example 1.18) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCC1)C(=O)OCCCCBr |r,c:4| Show InChI InChI=1S/C25H33BrO4/c1-16-7-8-19-18(13-16)22-20(27)14-17(15-21(22)30-24(19,2)3)25(9-6-10-25)23(28)29-12-5-4-11-26/h7,14-15,18-19,27H,4-6,8-13H2,1-3H3/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method				J Med Chem 58: 665-81 (2015) Article DOI: 10.1021/jm501165d BindingDB Entry DOI: 10.7270/Q2K076HR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50200170 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22-,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis				Eur J Med Chem 101: 651-67 (2015) Article DOI: 10.1016/j.ejmech.2015.06.057 BindingDB Entry DOI: 10.7270/Q2KP83ZM
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM85083 (NKB [MePhe7]) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C56H81N13O14S2/c1-31(2)22-39(51(78)63-37(48(58)75)18-20-84-6)62-44(70)29-60-55(82)47(32(3)4)68-53(80)40(23-33-14-10-8-11-15-33)66-54(81)43(24-34-16-12-9-13-17-34)69(5)56(83)42(27-46(73)74)67-52(79)41(25-35-28-59-30-61-35)65-50(77)38(19-21-85-7)64-49(76)36(57)26-45(71)72/h8-17,28,30-32,36-43,47H,18-27,29,57H2,1-7H3,(H2,58,75)(H,59,61)(H,60,82)(H,62,70)(H,63,78)(H,64,76)(H,65,77)(H,66,81)(H,67,79)(H,68,80)(H,71,72)(H,73,74)/t36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 281: 1303-11 (1997) BindingDB Entry DOI: 10.7270/Q2K35S61
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5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50475480 (CHEMBL193629) Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(ccc(Cl)c12)N1CCNCC1 Show InChI InChI=1S/C18H17Cl2N3O2S/c19-13-2-1-3-14(12-13)26(24,25)23-9-6-15-17(5-4-16(20)18(15)23)22-10-7-21-8-11-22/h1-6,9,12,21H,7-8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells				Bioorg Med Chem Lett 15: 4867-71 (2005) Article DOI: 10.1016/j.bmcl.2005.06.107 BindingDB Entry DOI: 10.7270/Q2028V9Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50174269 (1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole | ...) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCNCC1 Show InChI InChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells				Bioorg Med Chem Lett 15: 4867-71 (2005) Article DOI: 10.1016/j.bmcl.2005.06.107 BindingDB Entry DOI: 10.7270/Q2028V9Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50475467 (CHEMBL425015) Show SMILES Clc1cccc(c1)S(=O)(=O)c1c[nH]c2c(cccc12)N1CCNCC1 Show InChI InChI=1S/C18H18ClN3O2S/c19-13-3-1-4-14(11-13)25(23,24)17-12-21-18-15(17)5-2-6-16(18)22-9-7-20-8-10-22/h1-6,11-12,20-21H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells				Bioorg Med Chem Lett 15: 4867-71 (2005) Article DOI: 10.1016/j.bmcl.2005.06.107 BindingDB Entry DOI: 10.7270/Q2028V9Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50475462 (CHEMBL371375) Show SMILES Clc1cn(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H17Cl2N3O2S/c19-13-3-1-4-14(11-13)26(24,25)23-12-15(20)18-16(5-2-6-17(18)23)22-9-7-21-8-10-22/h1-6,11-12,21H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells				Bioorg Med Chem Lett 15: 4867-71 (2005) Article DOI: 10.1016/j.bmcl.2005.06.107 BindingDB Entry DOI: 10.7270/Q2028V9Q
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029965 (CHEMBL3353454) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(CCN2CCOCC2)c1=O)-c1ccco1 |(22.89,-5.18,;21.56,-5.95,;21.56,-7.49,;20.23,-8.26,;18.89,-7.49,;18.88,-5.96,;20.22,-5.18,;17.56,-8.27,;16.23,-7.51,;16.22,-5.97,;14.9,-8.28,;13.56,-7.52,;12.24,-8.3,;10.9,-7.53,;9.57,-8.3,;9.57,-9.85,;10.91,-10.62,;12.24,-9.84,;13.57,-10.61,;13.58,-12.14,;14.91,-12.91,;14.91,-14.45,;13.59,-15.22,;13.59,-16.75,;14.92,-17.53,;16.25,-16.76,;16.26,-15.21,;14.91,-9.83,;16.24,-10.6,;8.24,-7.53,;6.83,-8.16,;5.79,-7.02,;6.56,-5.68,;8.07,-6,)| Show InChI InChI=1S/C26H32N4O4/c1-18-4-6-21(7-5-18)28-25(31)22-16-19-15-20(23-3-2-12-34-23)17-27-24(19)30(26(22)32)9-8-29-10-13-33-14-11-29/h2-3,12,15-18,21H,4-11,13-14H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444496 (CHEMBL3092650) Show SMILES O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419411 (CHEMBL1915012) Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2o1 Show InChI InChI=1S/C17H17ClN2O3/c1-9(2)15-7-11-5-13(18)6-12(16(11)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant EP1 receptor expressed in CHO-K1 cells assessed as inhibition of PGE2-mediated intracellular calcium mobiliz...				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50475477 (CHEMBL372929) Show SMILES Cc1cc2c(cccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1 Show InChI InChI=1S/C19H20ClN3O2S/c1-14-12-17-18(22-10-8-21-9-11-22)6-3-7-19(17)23(14)26(24,25)16-5-2-4-15(20)13-16/h2-7,12-13,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells				Bioorg Med Chem Lett 15: 4867-71 (2005) Article DOI: 10.1016/j.bmcl.2005.06.107 BindingDB Entry DOI: 10.7270/Q2028V9Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50475475 (CHEMBL372513) Show SMILES Clc1ccccc1S(=O)(=O)n1ccc2c(cccc12)N1CCNCC1 Show InChI InChI=1S/C18H18ClN3O2S/c19-15-4-1-2-7-18(15)25(23,24)22-11-8-14-16(5-3-6-17(14)22)21-12-9-20-10-13-21/h1-8,11,20H,9-10,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells				Bioorg Med Chem Lett 15: 4867-71 (2005) Article DOI: 10.1016/j.bmcl.2005.06.107 BindingDB Entry DOI: 10.7270/Q2028V9Q
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-OC43)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PDB UniChem	WIPO WO2021205298	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...				Citation and Details BindingDB Entry DOI: 10.7270/Q232001P
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50507669 (CHEMBL4539170) Show SMILES CCc1cc(nn1C)-c1n[nH]c2ccnc(NC3CCOCC3)c12 Show InChI InChI=1S/C17H22N6O/c1-3-12-10-14(22-23(12)2)16-15-13(20-21-16)4-7-18-17(15)19-11-5-8-24-9-6-11/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,18,19)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in insect cells using RtGWWRFYTLRRAR...				Bioorg Med Chem Lett 29: 674-680 (2019) Article DOI: 10.1016/j.bmcl.2018.10.017 BindingDB Entry DOI: 10.7270/Q2HH6PCX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50233606 (CHEMBL4068675) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)SCCC |r,c:4| Show InChI InChI=1S/C23H32O3S/c1-7-10-27-21(25)22(3,4)15-12-18(24)20-16-11-14(2)8-9-17(16)23(5,6)26-19(20)13-15/h8,12-13,16-17,24H,7,9-11H2,1-6H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method				J Med Chem 58: 665-81 (2015) Article DOI: 10.1021/jm501165d BindingDB Entry DOI: 10.7270/Q2K076HR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50233602 (CHEMBL4071389 | US10882838, Example 1.8) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC#N |r,c:4| Show InChI InChI=1S/C24H31NO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9,11-12H2,1-5H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method				J Med Chem 58: 665-81 (2015) Article DOI: 10.1021/jm501165d BindingDB Entry DOI: 10.7270/Q2K076HR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50233622 (CHEMBL4073011 | US10882838, Example 1.35) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCC |r,c:4| Show InChI InChI=1S/C22H30O4/c1-7-25-20(24)21(3,4)14-11-17(23)19-15-10-13(2)8-9-16(15)22(5,6)26-18(19)12-14/h8,11-12,15-16,23H,7,9-10H2,1-6H3/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method				J Med Chem 58: 665-81 (2015) Article DOI: 10.1021/jm501165d BindingDB Entry DOI: 10.7270/Q2K076HR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50233613 (CHEMBL4092136 | US10882838, Example 1.33) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)COC(=O)CCCC |r,c:4| Show InChI InChI=1S/C25H36O4/c1-7-8-9-22(27)28-15-24(3,4)17-13-20(26)23-18-12-16(2)10-11-19(18)25(5,6)29-21(23)14-17/h10,13-14,18-19,26H,7-9,11-12,15H2,1-6H3/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method				J Med Chem 58: 665-81 (2015) Article DOI: 10.1021/jm501165d BindingDB Entry DOI: 10.7270/Q2K076HR
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50376788 (CHEMBL257997) Show SMILES CC(C)Cc1cn(-c2nc(cs2)C([O-])=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C16H15ClN2O2S/c1-9(2)5-10-7-19(14-6-11(17)3-4-12(10)14)16-18-13(8-22-16)15(20)21/h3-4,6-9H,5H2,1-2H3,(H,20,21)/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human EP1 receptor expressed in CHOK1 cells assessed as inhibition of PGE2-induced intracellular calcium mobilization by ...				Bioorg Med Chem Lett 18: 2684-90 (2008) Article DOI: 10.1016/j.bmcl.2008.03.018 BindingDB Entry DOI: 10.7270/Q2PC338K
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444500 (CHEMBL3092834) Show SMILES Cc1nnc(o1)-c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C22H24N4O2/c1-15-24-25-22(27-15)18-6-8-21(23-14-18)28-20-7-5-16-9-11-26(19-3-2-4-19)12-10-17(16)13-20/h5-8,13-14,19H,2-4,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50044607 (CHEMBL372537) Show SMILES O=S(=O)(c1csc2c(cccc12)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C18H18N2O2S2/c21-24(22,14-5-2-1-3-6-14)17-13-23-18-15(17)7-4-8-16(18)20-11-9-19-10-12-20/h1-8,13,19H,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells				Bioorg Med Chem Lett 15: 4867-71 (2005) Article DOI: 10.1016/j.bmcl.2005.06.107 BindingDB Entry DOI: 10.7270/Q2028V9Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50475463 (CHEMBL194915) Show SMILES Clc1ccc2n(ccc2c1N1CCNCC1)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C17H17ClN4O2S/c18-14-4-5-15-13(17(14)21-11-8-19-9-12-21)6-10-22(15)25(23,24)16-3-1-2-7-20-16/h1-7,10,19H,8-9,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells				Bioorg Med Chem Lett 15: 4867-71 (2005) Article DOI: 10.1016/j.bmcl.2005.06.107 BindingDB Entry DOI: 10.7270/Q2028V9Q
					More data for this Ligand-Target Pair
Substance-K receptor (Rattus norvegicus (Rat))	BDBM50291261 ((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...) Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham S.p.A. Curated by ChEMBL					Assay Description Ability to displace [125I]NKA from Tachykinin receptor 2 in rat deodenum membrane				J Med Chem 39: 2281-4 (1996) Article DOI: 10.1021/jm9602423 BindingDB Entry DOI: 10.7270/Q22J6CJR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029989 (CHEMBL3353437) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCCCF)c1=O |(30.62,1.62,;29.29,.84,;29.29,-.7,;27.97,-1.47,;26.63,-.7,;26.62,.83,;27.95,1.62,;25.3,-1.48,;23.96,-.72,;23.95,.83,;22.63,-1.5,;21.29,-.74,;19.97,-1.51,;18.63,-.75,;17.3,-1.52,;17.3,-3.06,;18.63,-3.83,;19.97,-3.05,;21.3,-3.82,;21.31,-5.36,;22.64,-6.13,;22.65,-7.67,;23.98,-8.43,;23.98,-9.97,;22.65,-10.75,;22.64,-3.05,;23.97,-3.81,)| Show InChI InChI=1S/C21H28FN3O2/c1-15-7-9-17(10-8-15)24-20(26)18-14-16-6-5-12-23-19(16)25(21(18)27)13-4-2-3-11-22/h5-6,12,14-15,17H,2-4,7-11,13H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (MOUSE)	BDBM78940 (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...) Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by PDSP Ki Database									Mol Pharmacol 64: 1295-308 (2003) Article DOI: 10.1124/mol.64.6.1295 BindingDB Entry DOI: 10.7270/Q2BP01CZ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50233608 (CHEMBL4094603) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCCBr |r,c:4| Show InChI InChI=1S/C25H35BrO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10-13H2,1-5H3/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method				J Med Chem 58: 665-81 (2015) Article DOI: 10.1021/jm501165d BindingDB Entry DOI: 10.7270/Q2K076HR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50200170 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22-,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor transfected in CHO cell membranes by liquid scintillation counting analysis				Eur J Med Chem 101: 651-67 (2015) Article DOI: 10.1016/j.ejmech.2015.06.057 BindingDB Entry DOI: 10.7270/Q2KP83ZM
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50200170 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22-,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Texas-Pan American Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor expressed in CHO cells				J Med Chem 56: 6593-612 (2013) Article DOI: 10.1021/jm400070u BindingDB Entry DOI: 10.7270/Q2BG2RXH
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50180022 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50475473 (CHEMBL194039) Show SMILES Cc1cn(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H20ClN3O2S/c1-14-13-23(26(24,25)16-5-2-4-15(20)12-16)18-7-3-6-17(19(14)18)22-10-8-21-9-11-22/h2-7,12-13,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells				Bioorg Med Chem Lett 15: 4867-71 (2005) Article DOI: 10.1016/j.bmcl.2005.06.107 BindingDB Entry DOI: 10.7270/Q2028V9Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444505 (CHEMBL3092828) Show SMILES CC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)cn1 Show InChI InChI=1S/C21H24N2O2/c1-15(24)21-8-7-20(14-22-21)25-19-6-5-16-9-11-23(18-3-2-4-18)12-10-17(16)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444507 (CHEMBL3092826) Show SMILES CC(C)NC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C23H29N3O2/c1-16(2)25-23(27)19-7-9-22(24-15-19)28-21-8-6-17-10-12-26(20-4-3-5-20)13-11-18(17)14-21/h6-9,14-16,20H,3-5,10-13H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444509 (CHEMBL3092840) Show SMILES O=C(N1CCCC1)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C24H29N3O2/c28-24(27-12-1-2-13-27)20-7-9-23(25-17-20)29-22-8-6-18-10-14-26(21-4-3-5-21)15-11-19(18)16-22/h6-9,16-17,21H,1-5,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50029972 (CHEMBL3353448) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1ccco1 |(23.36,-18.24,;22.03,-19.01,;22.03,-20.55,;20.71,-21.32,;19.37,-20.55,;19.36,-19.02,;20.69,-18.24,;18.04,-21.33,;16.7,-20.57,;16.69,-19.03,;15.37,-21.34,;14.04,-20.58,;12.71,-21.36,;11.37,-20.59,;10.05,-21.36,;10.04,-22.91,;11.38,-23.68,;12.71,-22.9,;14.05,-23.67,;14.05,-25.21,;15.38,-25.97,;15.38,-27.51,;16.71,-28.28,;18.05,-27.5,;19.38,-28.27,;18.04,-25.96,;16.71,-25.2,;15.38,-22.89,;16.72,-23.66,;8.71,-20.59,;7.3,-21.22,;6.26,-20.08,;7.03,-18.74,;8.54,-19.06,)| Show InChI InChI=1S/C27H26FN3O3/c1-17-4-10-22(11-5-17)30-26(32)23-14-19-13-20(24-3-2-12-34-24)15-29-25(19)31(27(23)33)16-18-6-8-21(28)9-7-18/h2-3,6-9,12-15,17,22H,4-5,10-11,16H2,1H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair

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