Compile Data Set for Download or QSAR

Found 1938 hits with Last Name = 'thompson' 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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50330773 (((6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a...) Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:17| Show InChI InChI=1S/C25H38O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor				Bioorg Med Chem 18: 7809-15 (2010) Article DOI: 10.1016/j.bmc.2010.09.061 BindingDB Entry DOI: 10.7270/Q2ZK5HP7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50135249 ((S)-1-((2S,4R)-4-(5-fluorobenzo[b]thiophen-2-yl)-2...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cc(F)ccc2s1 Show InChI InChI=1S/C26H29FN2O2S/c1-16-10-22-23(28-16)4-3-5-24(22)31-15-21(30)14-29-9-8-18(11-17(29)2)26-13-19-12-20(27)6-7-25(19)32-26/h3-7,10,12-13,17-18,21,28,30H,8-9,11,14-15H2,1-2H3/t17-,18+,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50130163 ((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-4-(4-methoxy-b...) Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1 Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18+,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50130152 ((S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(6-fluoroben...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(F)cc2s1 Show InChI InChI=1S/C25H27FN2O2S/c1-16-11-18(24-12-17-5-6-19(26)13-25(17)31-24)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16,18,20,27,29H,8,10-11,14-15H2,1H3/t16-,18+,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50130168 ((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-2-methyl-4-(4-...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(C)cccc2s1 Show InChI InChI=1S/C26H30N2O2S/c1-17-5-3-8-25-22(17)14-26(31-25)19-10-12-28(18(2)13-19)15-20(29)16-30-24-7-4-6-23-21(24)9-11-27-23/h3-9,11,14,18-20,27,29H,10,12-13,15-16H2,1-2H3/t18-,19+,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP Ki Database									Neuropsychopharmacology 25: 871-80 (2001) Article DOI: 10.1016/S0893-133X(01)00298-6 BindingDB Entry DOI: 10.7270/Q25M648W
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50130157 ((S)-1-((4S,6R)-4-Benzo[b]thiophen-2-yl-2-methyl-pi...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccccc2s1 Show InChI InChI=1S/C25H28N2O2S/c1-17-13-19(25-14-18-5-2-3-8-24(18)30-25)10-12-27(17)15-20(28)16-29-23-7-4-6-22-21(23)9-11-26-22/h2-9,11,14,17,19-20,26,28H,10,12-13,15-16H2,1H3/t17-,19+,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50135246 ((S)-1-((2S,4R)-4-(benzo[b]thiophen-2-yl)-2-methylp...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccccc2s1 Show InChI InChI=1S/C26H30N2O2S/c1-17-12-22-23(27-17)7-5-8-24(22)30-16-21(29)15-28-11-10-20(13-18(28)2)26-14-19-6-3-4-9-25(19)31-26/h3-9,12,14,18,20-21,27,29H,10-11,13,15-16H2,1-2H3/t18-,20+,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane				Bioorg Med Chem 16: 322-35 (2008) Article DOI: 10.1016/j.bmc.2007.09.033 BindingDB Entry DOI: 10.7270/Q22V2H0T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50130169 ((S)-1-(1H-indol-4-yloxy)-3-((2S,4R)-4-(5-chloroben...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(Cl)ccc2s1 Show InChI InChI=1S/C25H27ClN2O2S/c1-16-11-17(25-13-18-12-19(26)5-6-24(18)31-25)8-10-28(16)14-20(29)15-30-23-4-2-3-22-21(23)7-9-27-22/h2-7,9,12-13,16-17,20,27,29H,8,10-11,14-15H2,1H3/t16-,17+,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Imidazoleglycerol-phosphate dehydratase (Cryptococcus neoformans)	BDBM50079743 ((2-Hydroxy-3-[1,2,4]triazol-1-yl-propyl)-phosphoni...) Show SMILES OP(O)(O)CC(=O)Cn1cncn1 Show InChI InChI=1S/C5H10N3O4P/c9-5(2-13(10,11)12)1-8-4-6-3-7-8/h3-4,10-13H,1-2H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monsanto Company Curated by ChEMBL					Assay Description Binding affinity imidazole glycerol phosphate dehydratase (IGPD) obtained from Cryptococcus neoformans				Bioorg Med Chem Lett 9: 2053-8 (1999) BindingDB Entry DOI: 10.7270/Q29P30T6
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human cloned CB2 receptor				Bioorg Med Chem 16: 322-35 (2008) Article DOI: 10.1016/j.bmc.2007.09.033 BindingDB Entry DOI: 10.7270/Q22V2H0T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50136680 (CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...) Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1 Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP Ki Database									Neuropharmacology 45: 935-44 (2003) Article DOI: 10.1016/s0028-3908(03)00268-5 BindingDB Entry DOI: 10.7270/Q2VQ318R
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50135256 ((S)-1-((2S,4R)-4-(4-methoxybenzo[b]thiophen-2-yl)-...) Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1 Show InChI InChI=1S/C27H32N2O3S/c1-17-12-21-23(28-17)6-4-8-25(21)32-16-20(30)15-29-11-10-19(13-18(29)2)27-14-22-24(31-3)7-5-9-26(22)33-27/h4-9,12,14,18-20,28,30H,10-11,13,15-16H2,1-3H3/t18-,19+,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476859 (CHEMBL232938) Show SMILES CC(C)C[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H31N3O4/c1-16(2)15-21(30)27-24(32)26(13-8-14-26)25(33)28-22-19-11-5-4-9-17(19)18-10-6-7-12-20(18)29(3)23(22)31/h4-7,9-12,16,21-22,30H,8,13-15H2,1-3H3,(H,27,32)(H,28,33)/t21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM86421 (CAS_79617-96-2 | NSC_68617 | SERTRALINE) Show SMILES CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP Ki Database									Neuropharmacology 45: 935-44 (2003) Article DOI: 10.1016/s0028-3908(03)00268-5 BindingDB Entry DOI: 10.7270/Q2VQ318R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50150074 (2-Amino-4-(4-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...) Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(O)cc2)c1C#N Show InChI InChI=1S/C17H12N6OS/c18-7-12-15(10-1-3-11(24)4-2-10)13(8-19)17(23-16(12)20)25-9-14-21-5-6-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00099 BindingDB Entry DOI: 10.7270/Q23200WW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50130167 ((S)-1-(1H-Indol-4-yloxy)-3-[(4S,6R)-4-(6-methoxy-b...) Show SMILES COc1ccc2cc(sc2c1)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1 Show InChI InChI=1S/C26H30N2O3S/c1-17-12-19(25-13-18-6-7-21(30-2)14-26(18)32-25)9-11-28(17)15-20(29)16-31-24-5-3-4-23-22(24)8-10-27-23/h3-8,10,13-14,17,19-20,27,29H,9,11-12,15-16H2,1-2H3/t17-,19+,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476878 (CHEMBL399204) Show SMILES CC(C)[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:17| Show InChI InChI=1S/C27H29F3N4O4/c1-15(2)22(35)33-25(38)26(13-6-14-26)24(37)32-21-23(36)34(3)19-8-5-4-7-18(19)20(31-21)16-9-11-17(12-10-16)27(28,29)30/h4-5,7-12,15,21-22,35H,6,13-14H2,1-3H3,(H,32,37)(H,33,38)/t21-,22+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50130165 ((S)-1-(1H-Indol-4-yloxy)-3-[(4R,6S)-4-(4-methoxy-b...) Show SMILES COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@H](C)C1 Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18+,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50330773 (((6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a...) Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:17| Show InChI InChI=1S/C25H38O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor				Bioorg Med Chem 18: 7809-15 (2010) Article DOI: 10.1016/j.bmc.2010.09.061 BindingDB Entry DOI: 10.7270/Q2ZK5HP7
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476861 (CHEMBL401044) Show SMILES CC(C)CNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C27H29F3N4O3/c1-16(2)15-31-24(36)26(13-6-14-26)25(37)33-22-23(35)34(3)20-8-5-4-7-19(20)21(32-22)17-9-11-18(12-10-17)27(28,29)30/h4-5,7-12,16,22H,6,13-15H2,1-3H3,(H,31,36)(H,33,37)/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476880 (CHEMBL450279) Show SMILES CN1c2ccccc2-c2ccccc2[C@H](NC(=O)C2(CCC2)C(=O)NCCC2CCCC2)C1=O Show InChI InChI=1S/C28H33N3O3/c1-31-23-14-7-6-12-21(23)20-11-4-5-13-22(20)24(25(31)32)30-27(34)28(16-8-17-28)26(33)29-18-15-19-9-2-3-10-19/h4-7,11-14,19,24H,2-3,8-10,15-18H2,1H3,(H,29,33)(H,30,34)/t24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476871 (CHEMBL232182) Show SMILES CC(C)CNC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-26-23(30)25(13-8-14-25)24(31)27-21-19-11-5-4-9-17(19)18-10-6-7-12-20(18)28(3)22(21)29/h4-7,9-12,16,21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)/t21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198694 (US9221796, 23b) Show SMILES Cc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-2-4-18(5-3-17)16-25-15-12-22(23(25)27)24-13-10-20(11-14-24)19-6-8-21(26)9-7-19/h2-9,20,22,26H,10-16H2,1H3/t22-/m1/s1	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198694 (US9221796, 23b) Show SMILES Cc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-2-4-18(5-3-17)16-25-15-12-22(23(25)27)24-13-10-20(11-14-24)19-6-8-21(26)9-7-19/h2-9,20,22,26H,10-16H2,1H3/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	-54.8	n/a	n/a	n/a	n/a	n/a	n/a	50
Bristol-Myers Squibb Company US Patent					Assay Description To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...				US Patent US9221796 (2015) BindingDB Entry DOI: 10.7270/Q20V8BK1
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198665 (US9221796, 2b) Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r| Show InChI InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	-54.8	n/a	n/a	n/a	n/a	n/a	n/a	50
Bristol-Myers Squibb Company US Patent					Assay Description To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...				US Patent US9221796 (2015) BindingDB Entry DOI: 10.7270/Q20V8BK1
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198665 (US9221796, 2b) Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r| Show InChI InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/m1/s1	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198687 (US9221796, 18b) Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C22H25ClN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	-54.6	n/a	n/a	n/a	n/a	n/a	n/a	50
Bristol-Myers Squibb Company US Patent					Assay Description To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...				US Patent US9221796 (2015) BindingDB Entry DOI: 10.7270/Q20V8BK1
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198685 (US9221796, 17) Show SMILES Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(Cl)cc2)C1=O Show InChI InChI=1S/C22H25ClN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	-54.4	n/a	n/a	n/a	n/a	n/a	n/a	50
Bristol-Myers Squibb Company US Patent					Assay Description To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...				US Patent US9221796 (2015) BindingDB Entry DOI: 10.7270/Q20V8BK1
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198681 (US9221796, 13b) Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C22H26N2O2/c25-20-8-6-18(7-9-20)19-10-13-23(14-11-19)21-12-15-24(22(21)26)16-17-4-2-1-3-5-17/h1-9,19,21,25H,10-16H2/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	-54.4	n/a	n/a	n/a	n/a	n/a	n/a	50
Bristol-Myers Squibb Company US Patent					Assay Description To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...				US Patent US9221796 (2015) BindingDB Entry DOI: 10.7270/Q20V8BK1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50128368 ((S)-1-(1H-Indol-4-yloxy)-3-[4-(4-methoxy-benzo[b]t...) Show SMILES COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C25H28N2O3S/c1-29-22-5-3-7-24-20(22)14-25(31-24)17-9-12-27(13-10-17)15-18(28)16-30-23-6-2-4-21-19(23)8-11-26-21/h2-8,11,14,17-18,26,28H,9-10,12-13,15-16H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50128367 ((S)-1-(1H-indol-4-yloxy)-3-(4-(6-fluorobenzo[b]thi...) Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(F)cc2s1 Show InChI InChI=1S/C24H25FN2O2S/c25-18-5-4-17-12-23(30-24(17)13-18)16-7-10-27(11-8-16)14-19(28)15-29-22-3-1-2-21-20(22)6-9-26-21/h1-6,9,12-13,16,19,26,28H,7-8,10-11,14-15H2/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from 5HT reuptake site				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198835 (US9221796, 116) Show SMILES Oc1ccc(cc1F)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C22H23ClF2N2O2/c23-16-4-1-14(2-5-16)12-27-10-8-20(22(27)29)26-9-7-17(19(25)13-26)15-3-6-21(28)18(24)11-15/h1-6,11,17,19-20,28H,7-10,12-13H2/t17-,19+,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-53.8	n/a	n/a	n/a	n/a	n/a	n/a	50
Bristol-Myers Squibb Company US Patent					Assay Description To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...				US Patent US9221796 (2015) BindingDB Entry DOI: 10.7270/Q20V8BK1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476864 (CHEMBL429438) Show SMILES CC(C)CNC(=O)C1(CCCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:17| Show InChI InChI=1S/C28H31F3N4O3/c1-17(2)16-32-25(37)27(14-6-7-15-27)26(38)34-23-24(36)35(3)21-9-5-4-8-20(21)22(33-23)18-10-12-19(13-11-18)28(29,30)31/h4-5,8-13,17,23H,6-7,14-16H2,1-3H3,(H,32,37)(H,34,38)/t23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476860 (CHEMBL232936) Show SMILES CC(C)C[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O |t:18| Show InChI InChI=1S/C28H31F3N4O4/c1-16(2)15-21(36)32-25(38)27(13-6-14-27)26(39)34-23-24(37)35(3)20-8-5-4-7-19(20)22(33-23)17-9-11-18(12-10-17)28(29,30)31/h4-5,7-12,16,21,23,36H,6,13-15H2,1-3H3,(H,32,38)(H,34,39)/t21-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50323910 (2-((1S,3R)-3-hydroxycyclohexyl)-5-(2-methyloctan-2...) Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1 Show InChI InChI=1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane				Bioorg Med Chem 16: 322-35 (2008) Article DOI: 10.1016/j.bmc.2007.09.033 BindingDB Entry DOI: 10.7270/Q22V2H0T
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476870 (CHEMBL232346) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCC2)C(=O)NCCC2CCCC2)C1=O)c1ccc(cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C30H33F3N4O3/c1-37-23-10-5-4-9-22(23)24(20-11-13-21(14-12-20)30(31,32)33)35-25(26(37)38)36-28(40)29(16-6-17-29)27(39)34-18-15-19-7-2-3-8-19/h4-5,9-14,19,25H,2-3,6-8,15-18H2,1H3,(H,34,39)(H,36,40)/t25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198724 (US9221796, 45, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F |r| Show InChI InChI=1S/C23H25F3N2O2/c1-14-2-3-15(10-18(14)24)12-28-9-7-21(23(28)30)27-8-6-17(20(26)13-27)16-4-5-22(29)19(25)11-16/h2-5,10-11,17,20-21,29H,6-9,12-13H2,1H3/t17-,20+,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	-53.2	n/a	n/a	n/a	n/a	n/a	n/a	50
Bristol-Myers Squibb Company US Patent					Assay Description To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...				US Patent US9221796 (2015) BindingDB Entry DOI: 10.7270/Q20V8BK1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM209909 (US9273014, Comparative Compound 45 | US9427442, Co...) Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:13| Show InChI InChI=1S/C27H34N4O3/c1-5-11-19(24(28)32)21(16-17(2)3)26(33)30-25-27(34)31(4)22-15-10-9-14-20(22)23(29-25)18-12-7-6-8-13-18/h6-10,12-15,17,19,21,25H,5,11,16H2,1-4H3,(H2,28,32)(H,30,33)/t19-,21+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198834 (US9221796, 115) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1 |r| Show InChI InChI=1S/C23H26F2N2O2/c1-15-2-4-16(5-3-15)13-27-11-9-21(23(27)29)26-10-8-18(20(25)14-26)17-6-7-22(28)19(24)12-17/h2-7,12,18,20-21,28H,8-11,13-14H2,1H3/t18-,20+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.70	-53.0	n/a	n/a	n/a	n/a	n/a	n/a	50
Bristol-Myers Squibb Company US Patent					Assay Description To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...				US Patent US9221796 (2015) BindingDB Entry DOI: 10.7270/Q20V8BK1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50130161 ((S)-1-(1H-Indol-4-yloxy)-3-[(4R,6R)-4-(4-methoxy-b...) Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@H](C)C1 Show InChI InChI=1S/C26H30N2O3S/c1-17-13-18(26-14-21-23(30-2)6-4-8-25(21)32-26)10-12-28(17)15-19(29)16-31-24-7-3-5-22-20(24)9-11-27-22/h3-9,11,14,17-19,27,29H,10,12-13,15-16H2,1-2H3/t17-,18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198837 (US9221796, 117, P-2) Show SMILES Oc1ccc(cc1F)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(cc2)C(F)F)C1=O |r| Show InChI InChI=1S/C23H24F4N2O2/c24-18-11-16(5-6-21(18)30)17-7-9-28(13-19(17)25)20-8-10-29(23(20)31)12-14-1-3-15(4-2-14)22(26)27/h1-6,11,17,19-20,22,30H,7-10,12-13H2/t17-,19+,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.90	-52.8	n/a	n/a	n/a	n/a	n/a	n/a	50
Bristol-Myers Squibb Company US Patent					Assay Description To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...				US Patent US9221796 (2015) BindingDB Entry DOI: 10.7270/Q20V8BK1
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198692 (US9221796, 22) Show SMILES Cc1ccc(CN2CCC(N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 Show InChI InChI=1S/C23H28N2O2/c1-17-2-4-18(5-3-17)16-25-15-12-22(23(25)27)24-13-10-20(11-14-24)19-6-8-21(26)9-7-19/h2-9,20,22,26H,10-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.90	-52.8	n/a	n/a	n/a	n/a	n/a	n/a	50
Bristol-Myers Squibb Company US Patent					Assay Description To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...				US Patent US9221796 (2015) BindingDB Entry DOI: 10.7270/Q20V8BK1
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50287933 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C25H38O/c1-7-8-9-10-15-24(3,4)19-12-13-20-21-16-18(2)11-14-22(21)25(5,6)26-23(20)17-19/h11-13,17,21-22H,7-10,14-16H2,1-6H3/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clemson University Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor				Bioorg Med Chem 18: 7809-15 (2010) Article DOI: 10.1016/j.bmc.2010.09.061 BindingDB Entry DOI: 10.7270/Q2ZK5HP7
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198663 (US9221796, 1) Show SMILES Oc1ccc(cc1)C1CCN(CC1)C1CCN(Cc2ccc(F)cc2)C1=O Show InChI InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-52.7	n/a	n/a	n/a	n/a	n/a	n/a	50
Bristol-Myers Squibb Company US Patent					Assay Description To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...				US Patent US9221796 (2015) BindingDB Entry DOI: 10.7270/Q20V8BK1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476872 (CHEMBL401045) Show SMILES CC(C)CNC(=O)C1(CCCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O Show InChI InChI=1S/C26H31N3O3/c1-17(2)16-27-24(31)26(14-8-9-15-26)25(32)28-22-20-12-5-4-10-18(20)19-11-6-7-13-21(19)29(3)23(22)30/h4-7,10-13,17,22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50130157 ((S)-1-((4S,6R)-4-Benzo[b]thiophen-2-yl-2-methyl-pi...) Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccccc2s1 Show InChI InChI=1S/C25H28N2O2S/c1-17-13-19(25-14-18-5-2-3-8-24(18)30-25)10-12-27(17)15-20(28)16-29-23-7-4-6-22-21(23)9-11-26-22/h2-9,11,14,17,19-20,26,28H,10,12-13,15-16H2,1H3/t17-,19+,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor				Bioorg Med Chem Lett 16: 2347-51 (2006) Article DOI: 10.1016/j.bmcl.2005.11.007 BindingDB Entry DOI: 10.7270/Q2W958RV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198722 (US9221796, 45, P-2) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)c(F)c3)C2=O)cc1F |r| Show InChI InChI=1S/C23H25F3N2O2/c1-14-2-3-15(10-18(14)24)12-28-9-7-21(23(28)30)27-8-6-17(20(26)13-27)16-4-5-22(29)19(25)11-16/h2-5,10-11,17,20-21,29H,6-9,12-13H2,1H3/t17-,20+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.10	-52.6	n/a	n/a	n/a	n/a	n/a	n/a	50
Bristol-Myers Squibb Company US Patent					Assay Description To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...				US Patent US9221796 (2015) BindingDB Entry DOI: 10.7270/Q20V8BK1
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476865 (CHEMBL392265) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCC2)C(=O)N[C@@H](O)C2CCCCC2)C1=O)c1ccc(cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C30H33F3N4O4/c1-37-22-11-6-5-10-21(22)23(18-12-14-20(15-13-18)30(31,32)33)34-24(26(37)39)35-27(40)29(16-7-17-29)28(41)36-25(38)19-8-3-2-4-9-19/h5-6,10-15,19,24-25,38H,2-4,7-9,16-17H2,1H3,(H,35,40)(H,36,41)/t24-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes				Bioorg Med Chem Lett 17: 3910-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.102 BindingDB Entry DOI: 10.7270/Q2M90CFP
					More data for this Ligand-Target Pair

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