Compile Data Set for Download or QSAR

Found 689 hits with Last Name = 'ryu' and Initial = 'ej'   

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
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431696 (CHEMBL2349534) Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C18H17FN4O/c1-11-5-4-6-15(20-11)21-18(24)16-12(2)17(23(3)22-16)13-7-9-14(19)10-8-13/h4-10H,1-3H3,(H,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431690 (CHEMBL2349540) Show SMILES Cc1c(nn(C)c1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C18H16Cl2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)12-7-8-13(19)14(20)9-12/h4-9H,1-3H3,(H,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431692 (CHEMBL2349538) Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1F)C(=O)Nc1cccc(C)n1 |(61.97,-12.43,;61.98,-10.89,;63.24,-10,;62.78,-8.53,;61.24,-8.51,;60.34,-7.26,;60.75,-9.97,;59.28,-10.44,;58.16,-9.39,;56.69,-9.85,;56.35,-11.36,;54.88,-11.82,;57.5,-12.4,;58.96,-11.93,;60.1,-12.97,;64.7,-10.49,;65,-12,;65.85,-9.47,;67.31,-9.96,;67.61,-11.48,;69.07,-11.97,;70.23,-10.95,;69.92,-9.43,;71.07,-8.41,;68.46,-8.95,)| Show InChI InChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)13-8-7-12(19)9-14(13)20/h4-9H,1-3H3,(H,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431695 (CHEMBL2349535) Show SMILES Cc1c(nn(C)c1-c1ccc(Cl)cc1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C18H17ClN4O/c1-11-5-4-6-15(20-11)21-18(24)16-12(2)17(23(3)22-16)13-7-9-14(19)10-8-13/h4-10H,1-3H3,(H,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431693 (CHEMBL2349537) Show SMILES Cc1c(nn(C)c1-c1ccc(F)c(F)c1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)12-7-8-13(19)14(20)9-12/h4-9H,1-3H3,(H,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431697 (CHEMBL2349533) Show SMILES Cc1c(nn(C)c1-c1ccccc1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C18H18N4O/c1-12-8-7-11-15(19-12)20-18(23)16-13(2)17(22(3)21-16)14-9-5-4-6-10-14/h4-11H,1-3H3,(H,19,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431694 (CHEMBL2349536) Show SMILES Cc1c(nn(C)c1-c1cccc(Cl)c1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C18H17ClN4O/c1-11-6-4-9-15(20-11)21-18(24)16-12(2)17(23(3)22-16)13-7-5-8-14(19)10-13/h4-10H,1-3H3,(H,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431691 (CHEMBL2349539) Show SMILES Cc1c(nn(C)c1-c1cc(F)cc(F)c1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)12-7-13(19)9-14(20)8-12/h4-9H,1-3H3,(H,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431689 (CHEMBL2349541) Show SMILES Cc1c(nn(C)c1-c1ccc(C)cc1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C19H20N4O/c1-12-8-10-15(11-9-12)18-14(3)17(22-23(18)4)19(24)21-16-7-5-6-13(2)20-16/h5-11H,1-4H3,(H,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431717 (CHEMBL2346726) Show SMILES Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H16Cl2N4O/c1-10-5-4-6-16(21-10)23-18(25)17-11(2)24(12(3)22-17)13-7-8-14(19)15(20)9-13/h4-9H,1-3H3,(H,21,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431722 (CHEMBL2346721) Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccnc(Cl)n1 Show InChI InChI=1S/C16H13ClFN5O/c1-9-13(15(24)20-12-7-8-19-16(17)21-12)22-23(2)14(9)10-3-5-11(18)6-4-10/h3-8H,1-2H3,(H,19,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431728 (CHEMBL2346715) Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccc(F)cn1 Show InChI InChI=1S/C17H14F2N4O/c1-10-15(17(24)21-14-8-7-13(19)9-20-14)22-23(2)16(10)11-3-5-12(18)6-4-11/h3-9H,1-2H3,(H,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431719 (CHEMBL2346724 | MTE) Show SMILES Cc1csc(n1)C#Cc1cccnc1 Show InChI InChI=1S/C11H8N2S/c1-9-8-14-11(13-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50122758 (2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...) Show SMILES Cc1nc(cs1)C#Cc1cccnc1 Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	12.6	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT in rat cerebral cortex				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431718 (CHEMBL2346725) Show SMILES Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C18H17FN4O/c1-11-5-4-6-16(20-11)22-18(24)17-12(2)23(13(3)21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50325937 (CHEMBL1224227 | rac-N-methyl-3-(naphthalen-2-yl)-3...) Show SMILES CNCCC(c1ccc2ccccc2c1)n1ncnn1 Show InChI InChI=1S/C15H17N5/c1-16-9-8-15(20-18-11-17-19-20)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,15-16H,8-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13.3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50325936 ((S)-3-(5-(2H-1,2,3-triazol-2-yl)-2H-tetrazol-2-yl)...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(n1)-n1nccn1 |r| Show InChI InChI=1S/C13H14Cl2N8/c1-16-5-4-12(9-2-3-10(14)11(15)8-9)22-20-13(19-21-22)23-17-6-7-18-23/h2-3,6-8,12,16H,4-5H2,1H3/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14.7	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431716 (CHEMBL2346727) Show SMILES Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C18H16ClFN4O/c1-10-5-4-6-16(21-10)23-18(25)17-11(2)24(12(3)22-17)13-7-8-15(20)14(19)9-13/h4-9H,1-3H3,(H,21,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431721 (CHEMBL2346722) Show SMILES Cc1csc(NC(=O)c2nn(C)c(c2C)-c2ccc(F)cc2)n1 Show InChI InChI=1S/C16H15FN4OS/c1-9-8-23-16(18-9)19-15(22)13-10(2)14(21(3)20-13)11-4-6-12(17)7-5-11/h4-8H,1-3H3,(H,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431678 (CHEMBL2346711) Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cccc(Cl)n1 Show InChI InChI=1S/C17H14ClFN4O/c1-10-15(17(24)21-14-5-3-4-13(18)20-14)22-23(2)16(10)11-6-8-12(19)9-7-11/h3-9H,1-2H3,(H,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431687 (CHEMBL2349543) Show SMILES COc1ccc(cc1)-c1c(C)c(nn1C)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C19H20N4O2/c1-12-6-5-7-16(20-12)21-19(24)17-13(2)18(23(3)22-17)14-8-10-15(25-4)11-9-14/h5-11H,1-4H3,(H,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431713 (CHEMBL2346730) Show SMILES Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN4O/c1-11-5-4-6-16(20-11)22-18(24)17-12(2)23(13(3)21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50325933 ((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1 |r| Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.8	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against angiotensin converting enzyme (ACE)				Bioorg Med Chem Lett 4: 2799-2804 (1994) Article DOI: 10.1016/S0960-894X(01)80597-7 BindingDB Entry DOI: 10.7270/Q2NP24XX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431705 (ADX48621 | CHEMBL2346738 | Dipraglurant) Show SMILES Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1 Show InChI InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431712 (CHEMBL2346731) Show SMILES Cc1nc(C(=O)Nc2cccc(F)n2)c(C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C17H14F2N4O/c1-10-16(17(24)22-15-5-3-4-14(19)21-15)20-11(2)23(10)13-8-6-12(18)7-9-13/h3-9H,1-2H3,(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431684 (CHEMBL2349546) Show SMILES Cc1c(nn(C)c1C1CCCCC1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C18H24N4O/c1-12-8-7-11-15(19-12)20-18(23)16-13(2)17(22(3)21-16)14-9-5-4-6-10-14/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,19,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431704 (CHEMBL2346739) Show SMILES CCc1c(nn(C)c1-c1ccccc1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C19H20N4O/c1-4-15-17(19(24)21-16-12-8-9-13(2)20-16)22-23(3)18(15)14-10-6-5-7-11-14/h5-12H,4H2,1-3H3,(H,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431701 (CHEMBL2349529) Show SMILES Cc1cccc(NC(=O)c2nn(C)c3CCCCc23)n1 Show InChI InChI=1S/C15H18N4O/c1-10-6-5-9-13(16-10)17-15(20)14-11-7-3-4-8-12(11)19(2)18-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431730 (CHEMBL2346713) Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccc(F)c(C)n1 Show InChI InChI=1S/C18H16F2N4O/c1-10-16(18(25)22-15-9-8-14(20)11(2)21-15)23-24(3)17(10)12-4-6-13(19)7-5-12/h4-9H,1-3H3,(H,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50325937 (CHEMBL1224227 | rac-N-methyl-3-(naphthalen-2-yl)-3...) Show SMILES CNCCC(c1ccc2ccccc2c1)n1ncnn1 Show InChI InChI=1S/C15H17N5/c1-16-9-8-15(20-18-11-17-19-20)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,15-16H,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM82071 (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431688 (CHEMBL2349542) Show SMILES Cc1c(nn(C)c1-c1ccc(cc1)C(F)(F)F)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C19H17F3N4O/c1-11-5-4-6-15(23-11)24-18(27)16-12(2)17(26(3)25-16)13-7-9-14(10-8-13)19(20,21)22/h4-10H,1-3H3,(H,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431706 (CHEMBL2346737) Show SMILES Cc1nc(C(=O)Nc2ccnc(Cl)n2)c(C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C16H13ClFN5O/c1-9-14(15(24)21-13-7-8-19-16(17)22-13)20-10(2)23(9)12-5-3-11(18)4-6-12/h3-8H,1-2H3,(H,19,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431723 (CHEMBL2346720) Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccnc(F)c1 Show InChI InChI=1S/C17H14F2N4O/c1-10-15(17(24)21-13-7-8-20-14(19)9-13)22-23(2)16(10)11-3-5-12(18)6-4-11/h3-9H,1-2H3,(H,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431714 (CHEMBL2346729) Show SMILES Cc1nc(C(=O)Nc2cccc(C)n2)c(C)n1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H17F3N4O/c1-11-5-4-6-16(23-11)25-18(27)17-12(2)26(13(3)24-17)15-9-7-14(8-10-15)19(20,21)22/h4-10H,1-3H3,(H,23,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431724 (CHEMBL2346719) Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1ccnc(Cl)c1 Show InChI InChI=1S/C17H14ClFN4O/c1-10-15(17(24)21-13-7-8-20-14(18)9-13)22-23(2)16(10)11-3-5-12(19)6-4-11/h3-9H,1-2H3,(H,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50325933 ((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...) Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1 |r| Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cells				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431708 (CHEMBL2346735) Show SMILES Cc1nc(C(=O)Nc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C17H14ClFN4O/c1-10-16(17(24)22-13-7-8-20-15(18)9-13)21-11(2)23(10)14-5-3-12(19)4-6-14/h3-9H,1-2H3,(H,20,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431702 (CHEMBL2349528) Show SMILES Clc1cccc(NC(=O)c2noc3CCCc23)c1 Show InChI InChI=1S/C13H11ClN2O2/c14-8-3-1-4-9(7-8)15-13(17)12-10-5-2-6-11(10)18-16-12/h1,3-4,7H,2,5-6H2,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50325935 (CHEMBL1224381 | rac-3-(3,4-dichlorophenyl)-N-methy...) Show SMILES CNCCC(c1ccc(Cl)c(Cl)c1)n1ncnn1 Show InChI InChI=1S/C11H13Cl2N5/c1-14-5-4-11(18-16-7-15-17-18)8-2-3-9(12)10(13)6-8/h2-3,6-7,11,14H,4-5H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431685 (CHEMBL2349545) Show SMILES Cc1c(nn(C)c1-c1ccncc1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C17H17N5O/c1-11-5-4-6-14(19-11)20-17(23)15-12(2)16(22(3)21-15)13-7-9-18-10-8-13/h4-10H,1-3H3,(H,19,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50243895 (1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...) Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2 Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72.4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431710 (CHEMBL2346733) Show SMILES Cc1nc(C(=O)Nc2cccc(n2)C#N)c(C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C18H14FN5O/c1-11-17(18(25)23-16-5-3-4-14(10-20)22-16)21-12(2)24(11)15-8-6-13(19)7-9-15/h3-9H,1-2H3,(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50325934 (CHEMBL1224303 | rac-3-(3,4-dichlorophenyl)-N,N-dim...) Show SMILES CN(C)CCC(c1ccc(Cl)c(Cl)c1)n1ncnn1 Show InChI InChI=1S/C12H15Cl2N5/c1-18(2)6-5-12(19-16-8-15-17-19)9-3-4-10(13)11(14)7-9/h3-4,7-8,12H,5-6H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cells				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431679 (CHEMBL2349553) Show SMILES Cc1c(nn(C)c1-c1ccc(F)cc1)C(=O)Nc1cc(C)ccn1 Show InChI InChI=1S/C18H17FN4O/c1-11-8-9-20-15(10-11)21-18(24)16-12(2)17(23(3)22-16)13-4-6-14(19)7-5-13/h4-10H,1-3H3,(H,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50431707 (CHEMBL2346736) Show SMILES Cc1nc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C17H14F2N4O/c1-10-16(17(24)22-15-8-5-13(19)9-20-15)21-11(2)23(10)14-6-3-12(18)4-7-14/h3-9H,1-2H3,(H,20,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
SK Biopharmaceuticals Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 2134-9 (2013) Article DOI: 10.1016/j.bmcl.2013.01.116 BindingDB Entry DOI: 10.7270/Q20R9QR5
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50283770 ((S)-1-((2R,5S)-5-Benzoylamino-2-hydroxy-4-oxo-6-ph...) Show SMILES O[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O Show InChI InChI=1S/C28H26N2O6/c31-24(17-25(32)27(34)30-22-14-8-7-13-20(22)16-23(30)28(35)36)21(15-18-9-3-1-4-10-18)29-26(33)19-11-5-2-6-12-19/h1-14,21,23,25,32H,15-17H2,(H,29,33)(H,35,36)/t21-,23-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against angiotensin converting enzyme (ACE)				Bioorg Med Chem Lett 4: 2799-2804 (1994) Article DOI: 10.1016/S0960-894X(01)80597-7 BindingDB Entry DOI: 10.7270/Q2NP24XX
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 689 total )  |  Next  |  Last  >>

Jump to: