Compile Data Set for Download or QSAR

Found 139 hits with Last Name = 'reed' and Initial = 'r'   

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))	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
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
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
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
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
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
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
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
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))	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))	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
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))	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
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50166693 (3-Pyridin-3-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]na...) Show SMILES OC(=O)CC(c1cccnc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C26H26N4O3/c31-25(32)16-24(20-4-1-11-27-17-20)30-13-9-19-15-22(7-8-23(19)30)33-14-10-21-6-5-18-3-2-12-28-26(18)29-21/h1,4-9,11,13,15,17,24H,2-3,10,12,14,16H2,(H,28,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay				Eur J Med Chem 42: 334-43 (2007) Article DOI: 10.1016/j.ejmech.2006.10.015 BindingDB Entry DOI: 10.7270/Q21J9BKM
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166693 (3-Pyridin-3-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]na...) Show SMILES OC(=O)CC(c1cccnc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C26H26N4O3/c31-25(32)16-24(20-4-1-11-27-17-20)30-13-9-19-15-22(7-8-23(19)30)33-14-10-21-6-5-18-3-2-12-28-26(18)29-21/h1,4-9,11,13,15,17,24H,2-3,10,12,14,16H2,(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay				Eur J Med Chem 42: 334-43 (2007) Article DOI: 10.1016/j.ejmech.2006.10.015 BindingDB Entry DOI: 10.7270/Q21J9BKM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435279 (CHEMBL2393107) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-12-18-32(27(26)2)43-34-17-8-6-15-31(34)38(46)42-24-9-3-4-19-36(45)40-22-10-11-23-41-37-29-14-5-7-16-33(29)44-35-25-28(39)20-21-30(35)37/h6,8,12-13,15,17-18,20-21,25,43H,3-5,7,9-11,14,16,19,22-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.299	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166678 (3-Benzo[1,3]dioxol-5-yl-3-{5-[2-(5,6,7,8-tetrahydr...) Show SMILES OC(=O)CC(c1ccc2OCOc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C28H27N3O5/c32-27(33)16-24(19-4-8-25-26(15-19)36-17-35-25)31-12-9-20-14-22(6-7-23(20)31)34-13-10-21-5-3-18-2-1-11-29-28(18)30-21/h3-9,12,14-15,24H,1-2,10-11,13,16-17H2,(H,29,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay				Eur J Med Chem 42: 334-43 (2007) Article DOI: 10.1016/j.ejmech.2006.10.015 BindingDB Entry DOI: 10.7270/Q21J9BKM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435270 (CHEMBL2393227) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C36H43ClN4O/c1-25-14-13-19-31(26(25)2)40-33-18-10-8-16-30(33)36(42)39-23-12-6-4-3-5-11-22-38-35-28-15-7-9-17-32(28)41-34-24-27(37)20-21-29(34)35/h8,10,13-14,16,18-21,24,40H,3-7,9,11-12,15,17,22-23H2,1-2H3,(H,38,41)(H,39,42)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.495	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50166678 (3-Benzo[1,3]dioxol-5-yl-3-{5-[2-(5,6,7,8-tetrahydr...) Show SMILES OC(=O)CC(c1ccc2OCOc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C28H27N3O5/c32-27(33)16-24(19-4-8-25-26(15-19)36-17-35-25)31-12-9-20-14-22(6-7-23(20)31)34-13-10-21-5-3-18-2-1-11-29-28(18)30-21/h3-9,12,14-15,24H,1-2,10-11,13,16-17H2,(H,29,30)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay				Eur J Med Chem 42: 334-43 (2007) Article DOI: 10.1016/j.ejmech.2006.10.015 BindingDB Entry DOI: 10.7270/Q21J9BKM
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50201116 (3-(3-pyridyl)-3-[4-[2-(5,6,7,8-tetrahydro[1,8]naph...) Show SMILES OC(=O)CC(c1cccnc1)n1ccc2c(CCc3ccc4CCCNc4n3)cccc12 |w:4.3| Show InChI InChI=1S/C26H26N4O2/c31-25(32)16-24(20-6-2-13-27-17-20)30-15-12-22-18(4-1-7-23(22)30)8-10-21-11-9-19-5-3-14-28-26(19)29-21/h1-2,4,6-7,9,11-13,15,17,24H,3,5,8,10,14,16H2,(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay				Eur J Med Chem 42: 334-43 (2007) Article DOI: 10.1016/j.ejmech.2006.10.015 BindingDB Entry DOI: 10.7270/Q21J9BKM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435291 (CHEMBL2393095) Show SMILES NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C22H32ClN3/c23-17-12-13-19-21(16-17)26-20-11-7-6-10-18(20)22(19)25-15-9-5-3-1-2-4-8-14-24/h12-13,16H,1-11,14-15,24H2,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.604	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435289 (CHEMBL2393097) Show SMILES NCCCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C25H38ClN3/c26-20-15-16-22-24(19-20)29-23-14-10-9-13-21(23)25(22)28-18-12-8-6-4-2-1-3-5-7-11-17-27/h15-16,19H,1-14,17-18,27H2,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.648	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50166691 (3-Phenyl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...) Show SMILES OC(=O)CC(c1ccccc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C27H27N3O3/c31-26(32)18-25(19-5-2-1-3-6-19)30-15-12-21-17-23(10-11-24(21)30)33-16-13-22-9-8-20-7-4-14-28-27(20)29-22/h1-3,5-6,8-12,15,17,25H,4,7,13-14,16,18H2,(H,28,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay				Eur J Med Chem 42: 334-43 (2007) Article DOI: 10.1016/j.ejmech.2006.10.015 BindingDB Entry DOI: 10.7270/Q21J9BKM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435268 (CHEMBL2393229) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H47ClN4O/c1-27-16-15-21-33(28(27)2)42-35-20-12-10-18-32(35)38(44)41-25-14-8-6-4-3-5-7-13-24-40-37-30-17-9-11-19-34(30)43-36-26-29(39)22-23-31(36)37/h10,12,15-16,18,20-23,26,42H,3-9,11,13-14,17,19,24-25H2,1-2H3,(H,40,43)(H,41,44)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.776	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay				Eur J Med Chem 42: 334-43 (2007) Article DOI: 10.1016/j.ejmech.2006.10.015 BindingDB Entry DOI: 10.7270/Q21J9BKM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435290 (CHEMBL2393096) Show SMILES NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C23H34ClN3/c24-18-13-14-20-22(17-18)27-21-12-8-7-11-19(21)23(20)26-16-10-6-4-2-1-3-5-9-15-25/h13-14,17H,1-12,15-16,25H2,(H,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.932	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50201116 (3-(3-pyridyl)-3-[4-[2-(5,6,7,8-tetrahydro[1,8]naph...) Show SMILES OC(=O)CC(c1cccnc1)n1ccc2c(CCc3ccc4CCCNc4n3)cccc12 |w:4.3| Show InChI InChI=1S/C26H26N4O2/c31-25(32)16-24(20-6-2-13-27-17-20)30-15-12-22-18(4-1-7-23(22)30)8-10-21-11-9-19-5-3-14-28-26(19)29-21/h1-2,4,6-7,9,11-13,15,17,24H,3,5,8,10,14,16H2,(H,28,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay				Eur J Med Chem 42: 334-43 (2007) Article DOI: 10.1016/j.ejmech.2006.10.015 BindingDB Entry DOI: 10.7270/Q21J9BKM
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50201118 (3-phenyl-3-(4-(2-(5,6,7,8-tetrahydro-1,8-naphthyri...) Show SMILES OC(=O)CC(c1ccccc1)n1ccc2c(CCc3ccc4CCCNc4n3)cccc12 |w:4.3| Show InChI InChI=1S/C27H27N3O2/c31-26(32)18-25(20-6-2-1-3-7-20)30-17-15-23-19(8-4-10-24(23)30)11-13-22-14-12-21-9-5-16-28-27(21)29-22/h1-4,6-8,10,12,14-15,17,25H,5,9,11,13,16,18H2,(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay				Eur J Med Chem 42: 334-43 (2007) Article DOI: 10.1016/j.ejmech.2006.10.015 BindingDB Entry DOI: 10.7270/Q21J9BKM
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166691 (3-Phenyl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...) Show SMILES OC(=O)CC(c1ccccc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C27H27N3O3/c31-26(32)18-25(19-5-2-1-3-6-19)30-15-12-21-17-23(10-11-24(21)30)33-16-13-22-9-8-20-7-4-14-28-27(20)29-22/h1-3,5-6,8-12,15,17,25H,4,7,13-14,16,18H2,(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia 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& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay				Eur J Med Chem 42: 334-43 (2007) Article DOI: 10.1016/j.ejmech.2006.10.015 BindingDB Entry DOI: 10.7270/Q21J9BKM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435278 (CHEMBL2393108) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C34H39ClN4O/c1-23-12-11-17-29(24(23)2)38-31-16-8-6-14-28(31)34(40)37-21-10-4-3-9-20-36-33-26-13-5-7-15-30(26)39-32-22-25(35)18-19-27(32)33/h6,8,11-12,14,16-19,22,38H,3-5,7,9-10,13,15,20-21H2,1-2H3,(H,36,39)(H,37,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435292 (CHEMBL2393094) Show SMILES NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C21H30ClN3/c22-16-11-12-18-20(15-16)25-19-10-6-5-9-17(19)21(18)24-14-8-4-2-1-3-7-13-23/h11-12,15H,1-10,13-14,23H2,(H,24,25)	UniProtKB/SwissProt 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
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50201118 (3-phenyl-3-(4-(2-(5,6,7,8-tetrahydro-1,8-naphthyri...) Show SMILES OC(=O)CC(c1ccccc1)n1ccc2c(CCc3ccc4CCCNc4n3)cccc12 |w:4.3| Show InChI InChI=1S/C27H27N3O2/c31-26(32)18-25(20-6-2-1-3-7-20)30-17-15-23-19(8-4-10-24(23)30)11-13-22-14-12-21-9-5-16-28-27(21)29-22/h1-4,6-8,10,12,14-15,17,25H,5,9,11,13,16,18H2,(H,28,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay				Eur J Med Chem 42: 334-43 (2007) Article DOI: 10.1016/j.ejmech.2006.10.015 BindingDB Entry DOI: 10.7270/Q21J9BKM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435277 (CHEMBL2393109) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C37H44ClN5O2/c1-25-12-11-17-31(26(25)2)42-33-16-8-6-14-30(33)37(45)41-23-20-35(44)39-21-9-3-4-10-22-40-36-28-13-5-7-15-32(28)43-34-24-27(38)18-19-29(34)36/h6,8,11-12,14,16-19,24,42H,3-5,7,9-10,13,15,20-23H2,1-2H3,(H,39,44)(H,40,43)(H,41,45)	UniProtKB/SwissProt 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
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435291 (CHEMBL2393095) Show SMILES NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C22H32ClN3/c23-17-12-13-19-21(16-17)26-20-11-7-6-10-18(20)22(19)25-15-9-5-3-1-2-4-8-14-24/h12-13,16H,1-11,14-15,24H2,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435289 (CHEMBL2393097) Show SMILES NCCCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C25H38ClN3/c26-20-15-16-22-24(19-20)29-23-14-10-9-13-21(23)25(22)28-18-12-8-6-4-2-1-3-5-7-11-17-27/h15-16,19H,1-14,17-18,27H2,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435270 (CHEMBL2393227) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C36H43ClN4O/c1-25-14-13-19-31(26(25)2)40-33-18-10-8-16-30(33)36(42)39-23-12-6-4-3-5-11-22-38-35-28-15-7-9-17-32(28)41-34-24-27(37)20-21-29(34)35/h8,10,13-14,16,18-21,24,40H,3-7,9,11-12,15,17,22-23H2,1-2H3,(H,38,41)(H,39,42)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50435268 (CHEMBL2393229) Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C Show InChI InChI=1S/C38H47ClN4O/c1-27-16-15-21-33(28(27)2)42-35-20-12-10-18-32(35)38(44)41-25-14-8-6-4-3-5-7-13-24-40-37-30-17-9-11-19-34(30)43-36-26-29(39)22-23-31(36)37/h10,12,15-16,18,20-23,26,42H,3-9,11,13-14,17,19,24-25H2,1-2H3,(H,40,43)(H,41,44)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...				Bioorg Med Chem 21: 3614-23 (2013) Article DOI: 10.1016/j.bmc.2013.02.047 BindingDB Entry DOI: 10.7270/Q2WQ0557
					More data for this Ligand-Target Pair

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