Compile Data Set for Download or QSAR

Found 291 hits with Last Name = 'baumann' and Initial = 'a'   

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 (Rattus norvegicus (Rat))	BDBM50318372 ((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-meth...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:7| Show InChI InChI=1S/C14H14N2O/c1-17-16-14-7-4-5-12(11-14)8-9-13-6-2-3-10-15-13/h2-3,6,10-11H,4-5,7H2,1H3/b16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11123 ((2S)-1-[(2S)-2-amino-3-[4-(2,4-difluorophenyl)phen...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1F)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H19F2N3O/c21-15-7-8-17(18(22)11-15)14-5-3-13(4-6-14)10-19(24)20(26)25-9-1-2-16(25)12-23/h3-8,11,16,19H,1-2,9-10,24H2/t16-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20	-49.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11121 ((2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]p...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H20FN3O/c21-17-9-7-16(8-10-17)15-5-3-14(4-6-15)12-19(23)20(25)24-11-1-2-18(24)13-22/h3-10,18-19H,1-2,11-12,23H2/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.10	-48.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318382 (3-[pyridine-2-yl)ethynyl]cyclohex-2-enone-O-fluoro...) Show SMILES FCCOCCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12| Show InChI InChI=1S/C17H19FN2O2/c18-9-11-21-12-13-22-20-17-6-3-4-15(14-17)7-8-16-5-1-2-10-19-16/h1-2,5,10,14H,3-4,6,9,11-13H2/b20-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318375 ((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-3-fl...) Show SMILES Fc1cccnc1O\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:14| Show InChI InChI=1S/C18H14FN3O/c19-17-8-4-12-21-18(17)23-22-16-7-3-5-14(13-16)9-10-15-6-1-2-11-20-15/h1-2,4,6,8,11-13H,3,5,7H2/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50198702 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7| Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11122 ((2S)-1-[(2S)-2-amino-3-[4-(2-fluorophenyl)phenyl]p...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1F)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H20FN3O/c21-18-6-2-1-5-17(18)15-9-7-14(8-10-15)12-19(23)20(25)24-11-3-4-16(24)13-22/h1-2,5-10,16,19H,3-4,11-12,23H2/t16-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.30	-47.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318381 ((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-(3-f...) Show SMILES FCCCOCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12| Show InChI InChI=1S/C17H19FN2O2/c18-10-4-12-21-14-22-20-17-7-3-5-15(13-17)8-9-16-6-1-2-11-19-16/h1-2,6,11,13H,3-5,7,10,12,14H2/b20-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323923 ((E)-3-((2-(Fluoromethyl)thiazol-4-yl)ethynyl)cyclo...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1csc(CF)n1 |c:7| Show InChI InChI=1S/C13H13FN2OS/c1-17-16-11-4-2-3-10(7-11)5-6-12-9-18-13(8-14)15-12/h7,9H,2-4,8H2,1H3/b16-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich (Swiss Federal Institute of Technology) Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebellum membranes after 45 mins by liquid scintillation counting				Bioorg Med Chem 18: 6044-54 (2010) Article DOI: 10.1016/j.bmc.2010.06.070 BindingDB Entry DOI: 10.7270/Q2862GMS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318380 ((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-(2-f...) Show SMILES FCCOCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:11| Show InChI InChI=1S/C16H17FN2O2/c17-9-11-20-13-21-19-16-6-3-4-14(12-16)7-8-15-5-1-2-10-18-15/h1-2,5,10,12H,3-4,6,9,11,13H2/b19-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318374 ((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-6-fl...) Show SMILES Fc1cccc(O\N=C2/CCCC(=C2)C#Cc2ccccn2)n1 |c:12| Show InChI InChI=1S/C18H14FN3O/c19-17-8-4-9-18(21-17)23-22-16-7-3-5-14(13-16)10-11-15-6-1-2-12-20-15/h1-2,4,6,8-9,12-13H,3,5,7H2/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11118 ((2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]p...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H21N3O/c21-14-18-7-4-12-23(18)20(24)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19H,4,7,12-13,22H2/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	-45.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11119 ((2S)-1-[(2S)-2-amino-3-[4-(4-methylphenyl)phenyl]p...) Show SMILES Cc1ccc(cc1)-c1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C21H23N3O/c1-15-4-8-17(9-5-15)18-10-6-16(7-11-18)13-20(23)21(25)24-12-2-3-19(24)14-22/h4-11,19-20H,2-3,12-13,23H2,1H3/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	-43.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323924 ((E)-3-(Thiazol-2-ylethynyl)cyclohex-2-enone O-meth...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1nccs1 |c:7| Show InChI InChI=1S/C12H12N2OS/c1-15-14-11-4-2-3-10(9-11)5-6-12-13-7-8-16-12/h7-9H,2-4H2,1H3/b14-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	20.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich (Swiss Federal Institute of Technology) Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebellum membranes after 45 mins by liquid scintillation counting				Bioorg Med Chem 18: 6044-54 (2010) Article DOI: 10.1016/j.bmc.2010.06.070 BindingDB Entry DOI: 10.7270/Q2862GMS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323926 ((E)-3-((2-Methylthiazol-4-yl)ethynyl)cyclohex-2-en...) Show SMILES Cc1nc(cs1)C#CC1=C\C(CCC1)=N\OCCOCCF |t:9| Show InChI InChI=1S/C16H19FN2O2S/c1-13-18-16(12-22-13)6-5-14-3-2-4-15(11-14)19-21-10-9-20-8-7-17/h11-12H,2-4,7-10H2,1H3/b19-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich (Swiss Federal Institute of Technology) Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebellum membranes after 45 mins by liquid scintillation counting				Bioorg Med Chem 18: 6044-54 (2010) Article DOI: 10.1016/j.bmc.2010.06.070 BindingDB Entry DOI: 10.7270/Q2862GMS
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11120 ((2S)-1-[(2S)-2-amino-3-[4-(3,4-dimethoxyphenyl)phe...) Show SMILES COc1ccc(cc1OC)-c1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C22H25N3O3/c1-27-20-10-9-17(13-21(20)28-2)16-7-5-15(6-8-16)12-19(24)22(26)25-11-3-4-18(25)14-23/h5-10,13,18-19H,3-4,11-12,24H2,1-2H3/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	-43.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318383 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES Cc1cccc(n1)C#CC1=C\C(CCC1)=N\OCCOCCF |t:10| Show InChI InChI=1S/C18H21FN2O2/c1-15-4-2-6-17(20-15)9-8-16-5-3-7-18(14-16)21-23-13-12-22-11-10-19/h2,4,6,14H,3,5,7,10-13H2,1H3/b21-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11113 (6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...) Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/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	27	-43.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11116 ((2S)-1-[(2S)-2-amino-3-(4-iodophenyl)propanoyl]pyr...) Show SMILES N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C14H16IN3O/c15-11-5-3-10(4-6-11)8-13(17)14(19)18-7-1-2-12(18)9-16/h3-6,12-13H,1-2,7-8,17H2/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34	-42.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323925 ((E)-3-(Thiazol-4-ylethynyl)cyclohex-2-enone O-2-(2...) Show SMILES FCCOCCO\N=C1/CCCC(=C1)C#Cc1cscn1 |c:12| Show InChI InChI=1S/C15H17FN2O2S/c16-6-7-19-8-9-20-18-14-3-1-2-13(10-14)4-5-15-11-21-12-17-15/h10-12H,1-3,6-9H2/b18-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich (Swiss Federal Institute of Technology) Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebellum membranes after 45 mins by liquid scintillation counting				Bioorg Med Chem 18: 6044-54 (2010) Article DOI: 10.1016/j.bmc.2010.06.070 BindingDB Entry DOI: 10.7270/Q2862GMS
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11124 ((2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propa...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccco1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H19N3O2/c19-12-15-3-1-9-21(15)18(22)16(20)11-13-5-7-14(8-6-13)17-4-2-10-23-17/h2,4-8,10,15-16H,1,3,9,11,20H2/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	-42.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318376 ((Z)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-6-fl...) Show SMILES Fc1cccc(O\N=C2\CCCC(=C2)C#Cc2ccccn2)n1 |c:12| Show InChI InChI=1S/C18H14FN3O/c19-17-8-4-9-18(21-17)23-22-16-7-3-5-14(13-16)10-11-15-6-1-2-12-20-15/h1-2,4,6,8-9,12-13H,3,5,7H2/b22-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318373 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES Cc1cccc(n1)C#CC1=C\C(CCC1)=N\Oc1cccc(F)n1 |t:10| Show InChI InChI=1S/C19H16FN3O/c1-14-5-2-7-16(21-14)12-11-15-6-3-8-17(13-15)23-24-19-10-4-9-18(20)22-19/h2,4-5,7,9-10,13H,3,6,8H2,1H3/b23-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318377 ((Z)-4-fluoro-2-(3-(pyridin-2-ylethynyl)cyclohex-2-...) Show SMILES Fc1cc(O\N=C2\CCCC(=C2)C#Cc2ccccn2)ccc1C#N |c:10| Show InChI InChI=1S/C20H14FN3O/c21-20-13-19(10-8-16(20)14-22)25-24-18-6-3-4-15(12-18)7-9-17-5-1-2-11-23-17/h1-2,5,8,10-13H,3-4,6H2/b24-18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318371 ((E)-3-(pyridin-4-ylethynyl)cyclohex-2-enone O-meth...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1ccncc1 |c:7| Show InChI InChI=1S/C14H14N2O/c1-17-16-14-4-2-3-13(11-14)6-5-12-7-9-15-10-8-12/h7-11H,2-4H2,1H3/b16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	54.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318379 ((E)-4-fluoro-2-(3-(pyridin-2-ylethynyl)cyclohex-2-...) Show SMILES Fc1cc(O\N=C2/CCCC(=C2)C#Cc2ccccn2)ccc1C#N |c:10| Show InChI InChI=1S/C20H14FN3O/c21-20-13-19(10-8-16(20)14-22)25-24-18-6-3-4-15(12-18)7-9-17-5-1-2-11-23-17/h1-2,5,8,10-13H,3-4,6H2/b24-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11115 ((2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C14H17N3O/c15-10-12-7-4-8-17(12)14(18)13(16)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-9,16H2/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63	-41.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318378 ((E)-2-fluoro-4-(3-(pyridin-2-ylethynyl)cyclohex-2-...) Show SMILES Fc1ccc(C#N)c(O\N=C2/CCCC(=C2)C#Cc2ccccn2)c1 |c:14| Show InChI InChI=1S/C20H14FN3O/c21-17-9-8-16(14-22)20(13-17)25-24-19-6-3-4-15(12-19)7-10-18-5-1-2-11-23-18/h1-2,5,8-9,11-13H,3-4,6H2/b24-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11136 ((2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1F)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C18H18F2N2OS/c19-14-5-6-15(16(20)10-14)13-3-1-12(2-4-13)9-17(21)18(23)22-7-8-24-11-22/h1-6,10,17H,7-9,11,21H2/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	96	-40.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11134 (4-{4-[(2S)-2-amino-3-oxo-3-(1,3-thiazolidin-3-yl)p...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C19H19N3OS/c20-12-15-3-7-17(8-4-15)16-5-1-14(2-6-16)11-18(21)19(23)22-9-10-24-13-22/h1-8,18H,9-11,13,21H2/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	-38.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11133 (3-{4-[(2S)-2-amino-3-oxo-3-(1,3-thiazolidin-3-yl)p...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1cccc(c1)C(O)=O)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C19H20N2O3S/c20-17(18(22)21-8-9-25-12-21)10-13-4-6-14(7-5-13)15-2-1-3-16(11-15)19(23)24/h1-7,11,17H,8-10,12,20H2,(H,23,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	166	-38.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11135 ((2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]-1-(1,3-t...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C18H19FN2OS/c19-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(20)18(22)21-9-10-23-12-21/h1-8,17H,9-12,20H2/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	170	-38.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50318370 ((E)-3-(pyridin-3-ylethynyl)cyclohex-2-enone O-meth...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccnc1 |c:7| Show InChI InChI=1S/C14H14N2O/c1-17-16-14-6-2-4-12(10-14)7-8-13-5-3-9-15-11-13/h3,5,9-11H,2,4,6H2,1H3/b16-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zurich Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting				J Med Chem 53: 4009-17 (2010) Article DOI: 10.1021/jm901850k BindingDB Entry DOI: 10.7270/Q2T72HMH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11132 (4-{4-[(2S)-2-amino-3-oxo-3-(1,3-thiazolidin-3-yl)p...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C19H20N2O3S/c20-17(18(22)21-9-10-25-12-21)11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)19(23)24/h1-8,17H,9-12,20H2,(H,23,24)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	310	-37.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11131 ((2S)-2-amino-3-[4-(pyridin-2-yl)phenyl]-1-(1,3-thi...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccn1)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C17H19N3OS/c18-15(17(21)20-9-10-22-12-20)11-13-4-6-14(7-5-13)16-3-1-2-8-19-16/h1-8,15H,9-12,18H2/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	355	-36.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11125 ((2S)-2-amino-3-(4-phenylphenyl)-1-(1,3-thiazolidin...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C18H20N2OS/c19-17(18(21)20-10-11-22-13-20)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13,19H2/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	360	-36.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11117 (4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-...) Show SMILES N[C@@H](Cc1ccc(cc1)C(O)=O)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C15H17N3O3/c16-9-12-2-1-7-18(12)14(19)13(17)8-10-3-5-11(6-4-10)15(20)21/h3-6,12-13H,1-2,7-8,17H2,(H,20,21)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	470	-36.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11130 ((2S)-2-amino-3-(4-iodophenyl)-1-(1,3-thiazolidin-3...) Show SMILES N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C12H15IN2OS/c13-10-3-1-9(2-4-10)7-11(14)12(16)15-5-6-17-8-15/h1-4,11H,5-8,14H2/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	980	-34.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11126 ((2S)-2-amino-3-(4-phenylphenyl)-1-(pyrrolidin-1-yl...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C19H22N2O/c20-18(19(22)21-12-4-5-13-21)14-15-8-10-17(11-9-15)16-6-2-1-3-7-16/h1-3,6-11,18H,4-5,12-14,20H2/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.16E+3	-33.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11137 ((2S)-2-amino-3-(naphthalen-2-yl)-1-(1,3-thiazolidi...) Show SMILES N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C16H18N2OS/c17-15(16(19)18-7-8-20-11-18)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15H,7-8,10-11,17H2/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.90E+3	-28.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11129 ((2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-...) Show SMILES CC1(C)OCCN1C(=O)[C@@H](N)Cc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C20H24N2O2/c1-20(2)22(12-13-24-20)19(23)18(21)14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18H,12-14,21H2,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.28E+4	>-27.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11128 ((2S)-2-amino-1-[(2S)-2-[(benzyloxy)methyl]pyrrolid...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1COCc1ccccc1 |r| Show InChI InChI=1S/C27H30N2O2/c28-26(18-21-13-15-24(16-14-21)23-10-5-2-6-11-23)27(30)29-17-7-12-25(29)20-31-19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25-26H,7,12,17-20,28H2/t25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.28E+4	>-27.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11127 ((2S)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1...) Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C20H24N2O2/c21-19(20(24)22-12-4-7-18(22)14-23)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19,23H,4,7,12-14,21H2/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.28E+4	>-27.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11138 ((2S)-2-amino-3-(naphthalen-1-yl)-1-(1,3-thiazolidi...) Show SMILES N[C@@H](Cc1cccc2ccccc12)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C16H18N2OS/c17-15(16(19)18-8-9-20-11-18)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,15H,8-11,17H2/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.28E+4	>-27.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11139 ((2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazolidin-...) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C14H17N3OS/c15-12(14(18)17-5-6-19-9-17)7-10-8-16-13-4-2-1-3-11(10)13/h1-4,8,12,16H,5-7,9,15H2/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.28E+4	>-27.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Johnson & Johnson Pharmaceutical					Assay Description The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...				Bioorg Med Chem Lett 16: 123-8 (2006) Article DOI: 10.1016/j.bmcl.2005.09.037 BindingDB Entry DOI: 10.7270/Q2S180QJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Rattus norvegicus (Rat))	BDBM24185 ((3-aminopropyl)(methyl)phosphinic acid | 3-Apmpa |...) Show SMILES CP(O)(=O)CCCN Show InChI InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG Curated by ChEMBL					Assay Description Inhibition of [3H]-CGP-27,492 binding to Gamma-aminobutyric acid type B receptor of rat cortex				J Med Chem 38: 3297-312 (1995) BindingDB Entry DOI: 10.7270/Q2N58KDP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50217358 (4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)...) Show SMILES CO\N=C\c1c(N)ncnc1N1CCN(CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H25N7O3/c1-32-27-15-20-21(24)25-16-26-22(20)29-11-13-30(14-12-29)23(31)28-17-7-9-19(10-8-17)33-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,28,31)(H2,24,25,26)/b27-15+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human FLT3				Bioorg Med Chem Lett 17: 4861-5 (2007) Article DOI: 10.1016/j.bmcl.2007.06.046 BindingDB Entry DOI: 10.7270/Q2T72H47
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50246060 (CHEMBL472212 | CHEMBL541649 | D3RKN_6 | N-methyl-N...) Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of purified activated FAK kinase domain (410-689) using ATP and Glu and Tyr random peptide polymer substrate by fluorescence polarization ...				Bioorg Med Chem Lett 19: 3253-8 (2009) Article DOI: 10.1016/j.bmcl.2009.04.093 BindingDB Entry DOI: 10.7270/Q2GH9J96
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2 (Homo sapiens (Human))	BDBM24184 ((3-aminopropyl)phosphinic acid | 3-aminopropylphos...) Show SMILES NCCCP(O)=O Show InChI InChI=1S/C3H10NO2P/c4-2-1-3-7(5)6/h7H,1-4H2,(H,5,6)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY AG Curated by ChEMBL					Assay Description Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellum				J Med Chem 38: 3297-312 (1995) BindingDB Entry DOI: 10.7270/Q2N58KDP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50217367 (4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)...) Show SMILES CO\N=C\c1c(N)ncnc1N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C21H28N8O2/c1-31-25-14-18-19(22)23-15-24-20(18)28-10-12-29(13-11-28)21(30)26-16-4-6-17(7-5-16)27-8-2-3-9-27/h4-7,14-15H,2-3,8-13H2,1H3,(H,26,30)(H2,22,23,24)/b25-14+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Inhibition of human FLT3				Bioorg Med Chem Lett 17: 4861-5 (2007) Article DOI: 10.1016/j.bmcl.2007.06.046 BindingDB Entry DOI: 10.7270/Q2T72H47
					More data for this Ligand-Target Pair

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