Compile Data Set for Download or QSAR

Found 7830 hits with Last Name = 'ford' 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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050525 ((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...) Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human placental DPP4				J Med Chem 50: 2391-8 (2007) Article DOI: 10.1021/jm061321+ BindingDB Entry DOI: 10.7270/Q2NC6407
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050513 ((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...) Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human placental DPP4				J Med Chem 50: 2391-8 (2007) Article DOI: 10.1021/jm061321+ BindingDB Entry DOI: 10.7270/Q2NC6407
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050513 ((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...) Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human placental DPP4				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050525 ((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...) Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Tufts University Curated by ChEMBL					Assay Description Inhibition of human placental DPP4				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244360 ((6aR,10aR)-6,6,9-trimethyl-3-(2-(thiophen-2-yl)pro...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccs1 |r,t:1| Show InChI InChI=1S/C23H28O2S/c1-14-8-9-17-16(11-14)21-18(24)12-15(13-19(21)25-23(17,4)5)22(2,3)20-7-6-10-26-20/h6-8,10,12-13,16-17,24H,9,11H2,1-5H3/t16-,17-/m1/s1	PDB Reactome pathway 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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075926 (3-(3-Methoxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(CCN3CCCC3)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C33H38N2O2S/c1-37-31-21-25(8-11-27(31)23-35-17-4-5-18-35)20-30-29-13-12-28(36)22-32(29)38-33(30)26-9-6-24(7-10-26)14-19-34-15-2-3-16-34/h6-13,21-22,36H,2-5,14-20,23H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50050511 ((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...) Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human placental DPP4				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075934 (2-[4-(2-Amino-3-hydroxy-propoxy)-phenyl]-3-(3-meth...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCC(N)CO)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C30H34N2O4S/c1-35-28-15-20(4-5-22(28)17-32-12-2-3-13-32)14-27-26-11-8-24(34)16-29(26)37-30(27)21-6-9-25(10-7-21)36-19-23(31)18-33/h4-11,15-16,23,33-34H,2-3,12-14,17-19,31H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50050511 ((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...) Show SMILES NCC(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP9 expressed in HEK293T cells				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075937 (2-{4-[2-(2-Hydroxymethyl-pyrrolidin-1-yl)-ethoxy]-...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3CO)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C34H40N2O4S/c1-39-32-20-24(6-7-26(32)22-35-14-2-3-15-35)19-31-30-13-10-28(38)21-33(30)41-34(31)25-8-11-29(12-9-25)40-18-17-36-16-4-5-27(36)23-37/h6-13,20-21,27,37-38H,2-5,14-19,22-23H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075928 (3-(3-Methoxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[6-...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3)nc2)ccc1CN1CCCC1 Show InChI InChI=1S/C32H37N3O3S/c1-37-29-19-23(6-7-25(29)22-35-14-4-5-15-35)18-28-27-10-9-26(36)20-30(27)39-32(28)24-8-11-31(33-21-24)38-17-16-34-12-2-3-13-34/h6-11,19-21,36H,2-5,12-18,22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50050525 ((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...) Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1	PDB KEGG 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
Tufts University Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP9 expressed in HEK293T cells				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244359 ((6aR,10aR)-3-(2-(3-bromophenyl)propan-2-yl)-6,6,9-...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(Br)c1 |r,t:1| Show InChI InChI=1S/C25H29BrO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109106 (US8609852, 13) Show SMILES Cc1nc(cs1)C#Cc1cnc(nc1)-c1ccccc1C Show InChI InChI=1S/C17H13N3S/c1-12-5-3-4-6-16(12)17-18-9-14(10-19-17)7-8-15-11-21-13(2)20-15/h3-6,9-11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109136 (US8609852, 43) Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H11ClN2S/c1-12-20-17(11-21-12)6-5-13-7-15(10-19-9-13)14-3-2-4-16(18)8-14/h2-4,7-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.650	-52.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172117 (2-Cyclohex-1-enylethynyl-pyridine | CHEMBL196643) Show SMILES C1CCC(=CC1)C#Cc1ccccn1 |c:3| Show InChI InChI=1S/C13H13N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h4-6,8,11H,1-3,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244284 ((6aR,10aR)-3-(2-(4-ethylphenyl)propan-2-yl)-6,6,9-...) Show SMILES CCc1ccc(cc1)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20| Show InChI InChI=1S/C27H34O2/c1-7-18-9-11-19(12-10-18)26(3,4)20-15-23(28)25-21-14-17(2)8-13-22(21)27(5,6)29-24(25)16-20/h8-12,15-16,21-22,28H,7,13-14H2,1-6H3/t21-,22-/m1/s1	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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109101 (US8609852, 7) Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1Cl Show InChI InChI=1S/C17H11ClN2S/c1-12-20-14(11-21-12)8-6-13-7-9-17(19-10-13)15-4-2-3-5-16(15)18/h2-5,7,9-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-52.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50431227 (CHEMBL2333024) Show SMILES CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C15H22BN3O4/c1-10(2)13(18-14(20)11-5-3-7-17-9-11)15(21)19-8-4-6-12(19)16(22)23/h3,5,7,9-10,12-13,22-23H,4,6,8H2,1-2H3,(H,18,20)/t12-,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Sackler School of Biomedical Sciences Curated by ChEMBL					Assay Description Competitive inhibition of human PREP using Suc-GP-AMC as substrate by Lineweaver-Burk plot analysis				J Med Chem 56: 3467-77 (2013) Article DOI: 10.1021/jm400351a BindingDB Entry DOI: 10.7270/Q2C53N7W
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22170 ((2S)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}pip...) Show SMILES O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity for dopamine transporter				J Med Chem 45: 1321-9 (2002) BindingDB Entry DOI: 10.7270/Q2K073KD
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50050513 ((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...) Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r| Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tufts University Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP9 expressed in HEK293T cells				J Med Chem 51: 6005-13 (2008) Article DOI: 10.1021/jm800390n BindingDB Entry DOI: 10.7270/Q2GM874W
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109157 (US8609852, 64) Show SMILES CSc1ccccc1-c1ccc(c[nH+]1)C#Cc1csc(C)n1 Show InChI InChI=1S/C18H14N2S2/c1-13-20-15(12-22-13)9-7-14-8-10-17(19-11-14)16-5-3-4-6-18(16)21-2/h3-6,8,10-12H,1-2H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-51.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172136 (4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-ca...) Show SMILES O=C(OCc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:14| Show InChI InChI=1S/C20H18N2O2/c23-20(24-16-18-6-2-1-3-7-18)22-14-11-17(12-15-22)9-10-19-8-4-5-13-21-19/h1-8,11,13H,12,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244252 ((6aR,10aR)-6,6,9-trimethyl-3-(2-p-tolylpropan-2-yl...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(C)cc1 |r,t:1| Show InChI InChI=1S/C26H32O2/c1-16-7-10-18(11-8-16)25(3,4)19-14-22(27)24-20-13-17(2)9-12-21(20)26(5,6)28-23(24)15-19/h7-11,14-15,20-21,27H,12-13H2,1-6H3/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075938 (3-(3-Methoxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C33H38N2O3S/c1-37-31-21-24(6-7-26(31)23-35-16-4-5-17-35)20-30-29-13-10-27(36)22-32(29)39-33(30)25-8-11-28(12-9-25)38-19-18-34-14-2-3-15-34/h6-13,21-22,36H,2-5,14-20,23H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075932 (2-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-N-{4-[...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C33H37N3O5S2/c1-41-30-19-23(4-5-25(30)21-35-12-2-3-13-35)18-29-28-11-10-27(37)20-31(28)42-33(29)24-6-8-26(9-7-24)34-32(38)22-36-14-16-43(39,40)17-15-36/h4-11,19-20,37H,2-3,12-18,21-22H2,1H3,(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244322 ((6aR,10aR)-3-(2-(3-fluorophenyl)propan-2-yl)-6,6,9...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(F)c1 |r,t:1| Show InChI InChI=1S/C25H29FO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22199 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity against dopamine transporter labelled with [125I]- RTI-55 in rat.				J Med Chem 42: 5029-42 (2000) BindingDB Entry DOI: 10.7270/Q2R49PZ2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109121 (US8609852, 28) Show SMILES Cc1nc(cs1)C#Cc1ccc(SC(C)(C)C)nc1 Show InChI InChI=1S/C15H16N2S2/c1-11-17-13(10-18-11)7-5-12-6-8-14(16-9-12)19-15(2,3)4/h6,8-10H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	-51.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109115 (US8609852, 117 | US8609852, 34) Show SMILES Cc1[nH+]c(cs1)C#Cc1cnc(NC(C)(C)C)nc1 Show InChI InChI=1S/C14H16N4S/c1-10-17-12(9-19-10)6-5-11-7-15-13(16-8-11)18-14(2,3)4/h7-9H,1-4H3,(H,15,16,18)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	-51.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109102 (US8609852, 8) Show SMILES COc1ccccc1-c1ccc(cn1)C#Cc1csc(C)n1 Show InChI InChI=1S/C18H14N2OS/c1-13-20-15(12-22-13)9-7-14-8-10-17(19-11-14)16-5-3-4-6-18(16)21-2/h3-6,8,10-12H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	-51.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50133546 ((6aR,10aR)-6,6,9-Trimethyl-3-(1-methyl-1-phenyl-et...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1 |r,t:1| Show InChI InChI=1S/C25H30O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h6-11,14-15,19-20,26H,12-13H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50243718 (3-(2-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(c1)C#N |r,t:1| Show InChI InChI=1S/C26H29NO2/c1-16-9-10-21-20(11-16)24-22(28)13-19(14-23(24)29-26(21,4)5)25(2,3)18-8-6-7-17(12-18)15-27/h6-9,12-14,20-21,28H,10-11H2,1-5H3/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50083214 (2-[(E)-3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-eth...) Show SMILES Oc1ccccc1\C=C\CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C28H30F2N2O2/c29-25-11-7-23(8-12-25)28(24-9-13-26(30)14-10-24)34-21-20-32-18-16-31(17-19-32)15-3-5-22-4-1-2-6-27(22)33/h1-14,28,33H,15-21H2/b5-3+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity against dopamine transporter labelled with [125I]- RTI-55 in rat.				J Med Chem 42: 5029-42 (2000) BindingDB Entry DOI: 10.7270/Q2R49PZ2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109115 (US8609852, 117 | US8609852, 34) Show SMILES Cc1[nH+]c(cs1)C#Cc1cnc(NC(C)(C)C)nc1 Show InChI InChI=1S/C14H16N4S/c1-10-17-12(9-19-10)6-5-11-7-15-13(16-8-11)18-14(2,3)4/h7-9H,1-4H3,(H,15,16,18)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50149792 (5-(2-Methyl-thiazol-4-ylethynyl)-[3,3'']bipyridiny...) Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1cccnc1 Show InChI InChI=1S/C16H11N3S/c1-12-19-16(11-20-12)5-4-13-7-15(10-18-8-13)14-3-2-6-17-9-14/h2-3,6-11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 Research Laboratories Curated by ChEMBL					Assay Description Displacement by compound of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortical membranes				Bioorg Med Chem Lett 14: 3993-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.037 BindingDB Entry DOI: 10.7270/Q2T43SKQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109182 (US8609852, 91) Show SMILES Cc1[nH+]c(cs1)C#Cc1cncc(Oc2cccnc2)c1 Show InChI InChI=1S/C16H11N3OS/c1-12-19-14(11-21-12)5-4-13-7-16(10-18-8-13)20-15-3-2-6-17-9-15/h2-3,6-11H,1H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109176 (US8609852, 85) Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(c1)C#N Show InChI InChI=1S/C18H11N3S/c1-13-21-18(12-22-13)6-5-15-8-17(11-20-10-15)16-4-2-3-14(7-16)9-19/h2-4,7-8,10-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109120 (US8609852, 27) Show SMILES Cc1nc(cs1)C#Cc1ccc(OC(C)(C)C)nc1 Show InChI InChI=1S/C15H16N2OS/c1-11-17-13(10-19-11)7-5-12-6-8-14(16-9-12)18-15(2,3)4/h6,8-10H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109099 (US8609852, 5) Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1C Show InChI InChI=1S/C18H14N2S/c1-13-5-3-4-6-17(13)18-10-8-15(11-19-18)7-9-16-12-21-14(2)20-16/h3-6,8,10-12H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50244360 ((6aR,10aR)-6,6,9-trimethyl-3-(2-(thiophen-2-yl)pro...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccs1 |r,t:1| Show InChI InChI=1S/C23H28O2S/c1-14-8-9-17-16(11-14)21-18(24)12-15(13-19(21)25-23(17,4)5)22(2,3)20-7-6-10-26-20/h6-8,10,12-13,16-17,24H,9,11H2,1-5H3/t16-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109105 (US8609852, 12) Show SMILES Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cc(F)ccc1C Show InChI InChI=1S/C18H13FN2S/c1-12-3-6-15(19)9-17(12)18-8-5-14(10-20-18)4-7-16-11-22-13(2)21-16/h3,5-6,8-11H,1-2H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-51.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50172123 (3-Chloro-5-(3-pyridin-2-ylethynyl-cyclohex-2-enylo...) Show SMILES Clc1cncc(OC2CCCC(=C2)C#Cc2ccccn2)c1 |c:11| Show InChI InChI=1S/C18H15ClN2O/c19-15-11-18(13-20-12-15)22-17-6-3-4-14(10-17)7-8-16-5-1-2-9-21-16/h1-2,5,9-13,17H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244281 ((6aR,10aR)-6,6,9-trimethyl-3-(2-m-tolylpropan-2-yl...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(C)c1 |r,t:1| Show InChI InChI=1S/C26H32O2/c1-16-8-7-9-18(12-16)25(3,4)19-14-22(27)24-20-13-17(2)10-11-21(20)26(5,6)28-23(24)15-19/h7-10,12,14-15,20-21,27H,11,13H2,1-6H3/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
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Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109100 (US8609852, 6) Show SMILES COc1ccc(F)cc1-c1ccc(cn1)C#Cc1csc(C)n1 Show InChI InChI=1S/C18H13FN2OS/c1-12-21-15(11-23-12)6-3-13-4-7-17(20-10-13)16-9-14(19)5-8-18(16)22-2/h4-5,7-11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	-50.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50181753 (3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine ...) Show SMILES Cc1nc(cs1)C#Cc1cncc(C=C)c1 Show InChI InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	1.40	-50.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109113 (US8609852, 20) Show SMILES CC1CCCN1c1ccc(c[nH+]1)C#Cc1csc(C)n1 Show InChI InChI=1S/C16H17N3S/c1-12-4-3-9-19(12)16-8-6-14(10-17-16)5-7-15-11-20-13(2)18-15/h6,8,10-12H,3-4,9H2,1-2H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	-50.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109151 (US8609852, 58) Show SMILES CC1CCC(C)N1c1ccc(cn1)C#Cc1csc(C)[nH+]1 Show InChI InChI=1S/C17H19N3S/c1-12-4-5-13(2)20(12)17-9-7-15(10-18-17)6-8-16-11-21-14(3)19-16/h7,9-13H,4-5H2,1-3H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.5	-50.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109147 (US8609852, 54) Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cc(C)ccc1F Show InChI InChI=1S/C18H13FN2S/c1-12-3-7-17(19)16(9-12)18-8-5-14(10-20-18)4-6-15-11-22-13(2)21-15/h3,5,7-11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.5	-50.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM109114 (US8609852, 21) Show SMILES CC1CCCN1c1ncc(cn1)C#Cc1csc(C)n1 Show InChI InChI=1S/C15H16N4S/c1-11-4-3-7-19(11)15-16-8-13(9-17-15)5-6-14-10-20-12(2)18-14/h8-11H,3-4,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.5	-50.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...				US Patent US8609852 (2013) BindingDB Entry DOI: 10.7270/Q27M06K3
					More data for this Ligand-Target Pair

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