Compile Data Set for Download or QSAR

Found 5276 hits with Last Name = 'sham' and Initial = 'hl'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50099842 ((S)-N-[(S)-4-[2-(2,6-Dimethyl-phenoxy)-acetylamino...) Show SMILES CC(C)[C@H](N1CCC(=O)NC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 Show InChI InChI=1S/C37H46N4O6/c1-24(2)34(41-19-18-32(43)40-37(41)46)36(45)38-29(20-27-14-7-5-8-15-27)22-31(42)30(21-28-16-9-6-10-17-28)39-33(44)23-47-35-25(3)12-11-13-26(35)4/h5-17,24,29-31,34,42H,18-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,43,46)/t29-,30-,31-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV protease				Bioorg Med Chem Lett 11: 1351-3 (2001) BindingDB Entry DOI: 10.7270/Q2HX1BX6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM578 ((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...) Show SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV protease				Bioorg Med Chem Lett 11: 1351-3 (2001) BindingDB Entry DOI: 10.7270/Q2HX1BX6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50099843 ((S)-N-[(S)-4-[2-(2,6-Dimethyl-phenoxy)-acetylamino...) Show SMILES CC(C)[C@H](N1CCC(O)NC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 Show InChI InChI=1S/C37H48N4O6/c1-24(2)34(41-19-18-32(43)40-37(41)46)36(45)38-29(20-27-14-7-5-8-15-27)22-31(42)30(21-28-16-9-6-10-17-28)39-33(44)23-47-35-25(3)12-11-13-26(35)4/h5-17,24,29-32,34,42-43H,18-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)/t29-,30-,31-,32?,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV protease				Bioorg Med Chem Lett 11: 1351-3 (2001) BindingDB Entry DOI: 10.7270/Q2HX1BX6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM194 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxy-...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(Cc3ccc(O)c(OC)c3)C2=O)ccc1O |r| Show InChI InChI=1S/C34H37N3O6/c1-42-32-18-26(13-15-29(32)38)21-36-28(17-24-9-5-3-6-10-24)31(40)23-35(20-25-11-7-4-8-12-25)37(34(36)41)22-27-14-16-30(39)33(19-27)43-2/h3-16,18-19,28,31,38-40H,17,20-23H2,1-2H3/t28-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.00500	-65.6	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM195 ((5R,6R)-1,5-dibenzyl-2-(cyclopropylmethyl)-6-hydro...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(CC3CC3)C2=O)ccc1O |r| Show InChI InChI=1S/C30H35N3O4/c1-37-29-17-25(14-15-27(29)34)19-32-26(16-22-8-4-2-5-9-22)28(35)21-31(18-23-10-6-3-7-11-23)33(30(32)36)20-24-12-13-24/h2-11,14-15,17,24,26,28,34-35H,12-13,16,18-21H2,1H3/t26-,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0620	-59.2	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM192 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxyp...) Show SMILES O[C@@H]1CN(Cc2ccccc2)N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C32H33N3O4/c36-28-15-11-26(12-16-28)21-34-30(19-24-7-3-1-4-8-24)31(38)23-33(20-25-9-5-2-6-10-25)35(32(34)39)22-27-13-17-29(37)18-14-27/h1-18,30-31,36-38H,19-23H2/t30-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	-58.9	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM189 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis({[4-(hydrox...) Show SMILES OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C34H37N3O4/c38-24-30-15-11-28(12-16-30)21-36-32(19-26-7-3-1-4-8-26)33(40)23-35(20-27-9-5-2-6-10-27)37(34(36)41)22-29-13-17-31(25-39)18-14-29/h1-18,32-33,38-40H,19-25H2/t32-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	-56.0	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM193 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(3-methoxyp...) Show SMILES COc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(Cc3cccc(OC)c3)C2=O)c1 |r| Show InChI InChI=1S/C34H37N3O4/c1-40-30-17-9-15-28(19-30)23-36-32(21-26-11-5-3-6-12-26)33(38)25-35(22-27-13-7-4-8-14-27)37(34(36)39)24-29-16-10-18-31(20-29)41-2/h3-20,32-33,38H,21-25H2,1-2H3/t32-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	-56.0	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11108 ((2S)-1-{[(2S,5R)-5-{[(6-bromo-2H-1,3-benzodioxol-5...) Show SMILES Brc1cc2OCOc2cc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H20BrN3O4/c19-13-6-16-17(26-10-25-16)7-15(13)24-9-11-3-4-14(21-11)18(23)22-5-1-2-12(22)8-20/h6-7,11-12,14,21H,1-5,9-10H2/t11-,12+,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11103 (2-cyanopyrrolidine 21aj | 5-chloro-6-{[(2R,5S)-5-{...) Show SMILES OC(=O)c1cnc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)c1 |r| Show InChI InChI=1S/C17H19ClN4O4/c18-13-6-10(17(24)25)8-20-15(13)26-9-11-3-4-14(21-11)16(23)22-5-1-2-12(22)7-19/h6,8,11-12,14,21H,1-5,9H2,(H,24,25)/t11-,12+,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM190 ((5R,6R)-2,4-Bis[4-(hydroxymethyl)benzyl]-1-(3-fura...) Show SMILES OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccoc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C32H35N3O5/c36-21-27-10-6-25(7-11-27)18-34-30(16-24-4-2-1-3-5-24)31(38)20-33(17-29-14-15-40-23-29)35(32(34)39)19-26-8-12-28(22-37)13-9-26/h1-15,23,30-31,36-38H,16-22H2/t30-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.490	-54.0	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11087 ((2S)-1-{[(2S,5R)-5-(2-chloro-4-cyanophenoxymethyl)...) Show SMILES Clc1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C#N |r| Show InChI InChI=1S/C18H19ClN4O2/c19-15-8-12(9-20)3-6-17(15)25-11-13-4-5-16(22-13)18(24)23-7-1-2-14(23)10-21/h3,6,8,13-14,16,22H,1-2,4-5,7,11H2/t13-,14+,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11110 ((2S)-1-{[(2S,5R)-5-(2,4-dichloro-5-nitrophenoxymet...) Show SMILES [O-][N+](=O)c1cc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)cc1Cl |r| Show InChI InChI=1S/C17H18Cl2N4O4/c18-12-6-13(19)16(7-15(12)23(25)26)27-9-10-3-4-14(21-10)17(24)22-5-1-2-11(22)8-20/h6-7,10-11,14,21H,1-5,9H2/t10-,11+,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11101 (2-cyanopyrrolidine 21ah | 3-bromo-4-{[(2R,5S)-5-{[...) Show SMILES OC(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Br)c1 |r| Show InChI InChI=1S/C18H20BrN3O4/c19-14-8-11(18(24)25)3-6-16(14)26-10-12-4-5-15(21-12)17(23)22-7-1-2-13(22)9-20/h3,6,8,12-13,15,21H,1-2,4-5,7,10H2,(H,24,25)/t12-,13+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11112 (2-cyanopyrrolidine 21as | N-(4-chloro-3-{[(2R,5S)-...) Show SMILES Clc1ccc(NC(=O)c2ccn[nH]2)cc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C21H23ClN6O3/c22-16-5-3-13(26-20(29)17-7-8-24-27-17)10-19(16)31-12-14-4-6-18(25-14)21(30)28-9-1-2-15(28)11-23/h3,5,7-8,10,14-15,18,25H,1-2,4,6,9,12H2,(H,24,27)(H,26,29)/t14-,15+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11104 (2-cyanopyrrolidine 21ak | 6-chloro-5-{[(2R,5S)-5-{...) Show SMILES OC(=O)c1cnc(Cl)c(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c1 |r| Show InChI InChI=1S/C17H19ClN4O4/c18-15-14(6-10(8-20-15)17(24)25)26-9-11-3-4-13(21-11)16(23)22-5-1-2-12(22)7-19/h6,8,11-13,21H,1-5,9H2,(H,24,25)/t11-,12+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11107 ((2S)-1-{[(2S,5R)-5-(2-bromo-4-methanesulfonylpheno...) Show SMILES CS(=O)(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Br)c1 |r| Show InChI InChI=1S/C18H22BrN3O4S/c1-27(24,25)14-5-7-17(15(19)9-14)26-11-12-4-6-16(21-12)18(23)22-8-2-3-13(22)10-20/h5,7,9,12-13,16,21H,2-4,6,8,11H2,1H3/t12-,13+,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11090 ((2S)-1-{[(2S,5R)-5-{[(2-chloropyridin-3-yl)oxy]met...) Show SMILES Clc1ncccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C16H19ClN4O2/c17-15-14(4-1-7-19-15)23-10-11-5-6-13(20-11)16(22)21-8-2-3-12(21)9-18/h1,4,7,11-13,20H,2-3,5-6,8,10H2/t11-,12+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11111 (2-cyanopyrrolidine 21ar | N-(3-bromo-4-{[(2R,5S)-5...) Show SMILES Brc1cc(NS(=O)(=O)c2ccccc2)ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C23H25BrN4O4S/c24-20-13-16(27-33(30,31)19-6-2-1-3-7-19)9-11-22(20)32-15-17-8-10-21(26-17)23(29)28-12-4-5-18(28)14-25/h1-3,6-7,9,11,13,17-18,21,26-27H,4-5,8,10,12,15H2/t17-,18+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11100 (2-cyanopyrrolidine 21ag | 4-chloro-3-{[(2R,5S)-5-{...) Show SMILES OC(=O)c1ccc(Cl)c(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c1 |r| Show InChI InChI=1S/C18H20ClN3O4/c19-14-5-3-11(18(24)25)8-16(14)26-10-12-4-6-15(21-12)17(23)22-7-1-2-13(22)9-20/h3,5,8,12-13,15,21H,1-2,4,6-7,10H2,(H,24,25)/t12-,13+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11085 ((2S)-1-{[(2S,5R)-5-(2-chlorophenoxymethyl)pyrrolid...) Show SMILES Clc1ccccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C17H20ClN3O2/c18-14-5-1-2-6-16(14)23-11-12-7-8-15(20-12)17(22)21-9-3-4-13(21)10-19/h1-2,5-6,12-13,15,20H,3-4,7-9,11H2/t12-,13+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11098 (2-cyanopyrrolidine 21ae | 3-chloro-4-{[(2R,5S)-5-{...) Show SMILES OC(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)c1 |r| Show InChI InChI=1S/C18H20ClN3O4/c19-14-8-11(18(24)25)3-6-16(14)26-10-12-4-5-15(21-12)17(23)22-7-1-2-13(22)9-20/h3,6,8,12-13,15,21H,1-2,4-5,7,10H2,(H,24,25)/t12-,13+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM15956 (Aminopyridine-Based Inhibitor 18b | N-(4-Amino-5-c...) Show SMILES COc1cc(c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1)S(C)(=O)=O Show InChI InChI=1S/C20H24N4O6S/c1-11(2)30-20-13(10-21)14(22)8-18(24-20)23-19(25)7-12-6-16(29-4)17(31(5,26)27)9-15(12)28-3/h6,8-9,11H,7H2,1-5H3,(H3,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...				J Med Chem 49: 3563-80 (2006) Article DOI: 10.1021/jm060199b BindingDB Entry DOI: 10.7270/Q2P26WDX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11644 ((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...) Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-50.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12648 ((2S,5R)-5-Ethynyl-1-{N-(4-methyl-1-(4-carboxy-pyri...) Show SMILES CC1(CCN(CC1)c1cc(ccn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r| Show InChI InChI=1S/C21H25N5O3/c1-3-16-4-5-17(13-22)26(16)19(27)14-24-21(2)7-10-25(11-8-21)18-12-15(20(28)29)6-9-23-18/h1,6,9,12,16-17,24H,4-5,7-8,10-11,14H2,2H3,(H,28,29)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11102 (2-cyanopyrrolidine 21ai | 4-bromo-3-{[(2R,5S)-5-{[...) Show SMILES OC(=O)c1ccc(Br)c(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c1 |r| Show InChI InChI=1S/C18H20BrN3O4/c19-14-5-3-11(18(24)25)8-16(14)26-10-12-4-6-15(21-12)17(23)22-7-1-2-13(22)9-20/h3,5,8,12-13,15,21H,1-2,4,6-7,10H2,(H,24,25)/t12-,13+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11105 (2-cyanopyrrolidine 21al | 5-carboxy-2-chloro-3-{[(...) Show SMILES OC(=O)c1cc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)[n+]([O-])c1 |r| Show InChI InChI=1S/C17H19ClN4O5/c18-15-14(6-10(17(24)25)8-22(15)26)27-9-11-3-4-13(20-11)16(23)21-5-1-2-12(21)7-19/h6,8,11-13,20H,1-5,9H2,(H,24,25)/t11-,12+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12656 (((4R,5S)-5-Amino-4-(2,4,5-trifluorophenyl)cyclohex...) Show SMILES [NH3+][C@H]1CC(=CC[C@@H]1c1cc(F)c(F)cc1F)C(=O)N1CCn2c(C1)nnc2C(F)(F)F |r,c:3| Show InChI InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/p+1/t10-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	-50.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12647 ((2S,5R)-5-ethynyl-1-(N-(4-methyl-1-(5-carboxy-pyri...) Show SMILES CC1(CCN(CC1)c1ccc(cn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r| Show InChI InChI=1S/C21H25N5O3/c1-3-16-5-6-17(12-22)26(16)19(27)14-24-21(2)8-10-25(11-9-21)18-7-4-15(13-23-18)20(28)29/h1,4,7,13,16-17,24H,5-6,8-11,14H2,2H3,(H,28,29)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 6416-20 (2006) Article DOI: 10.1021/jm060777o BindingDB Entry DOI: 10.7270/Q2M043M1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11106 ((2S)-1-{[(2S,5R)-5-(2-chloro-4-methanesulfonylphen...) Show SMILES CS(=O)(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)c1 |r| Show InChI InChI=1S/C18H22ClN3O4S/c1-27(24,25)14-5-7-17(15(19)9-14)26-11-12-4-6-16(21-12)18(23)22-8-2-3-13(22)10-20/h5,7,9,12-13,16,21H,2-4,6,8,11H2,1H3/t12-,13+,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11109 (2-cyanopyrrolidine 21ap | 4-{[(2R,5S)-5-{[(2S)-2-c...) Show SMILES OC(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c2ccccc12 |r| Show InChI InChI=1S/C22H23N3O4/c23-12-15-4-3-11-25(15)21(26)19-9-7-14(24-19)13-29-20-10-8-18(22(27)28)16-5-1-2-6-17(16)20/h1-2,5-6,8,10,14-15,19,24H,3-4,7,9,11,13H2,(H,27,28)/t14-,15+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11099 (2-cyanopyrrolidine 21af | 4-{[(2R,5S)-5-{[(2S)-2-c...) Show SMILES COc1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C(O)=O |r| Show InChI InChI=1S/C19H23N3O5/c1-26-17-9-12(19(24)25)4-7-16(17)27-11-13-5-6-15(21-13)18(23)22-8-2-3-14(22)10-20/h4,7,9,13-15,21H,2-3,5-6,8,11H2,1H3,(H,24,25)/t13-,14+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11088 ((2S)-1-{[(2S,5R)-5-(2,4-dichlorophenoxymethyl)pyrr...) Show SMILES Clc1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)c1 |r| Show InChI InChI=1S/C17H19Cl2N3O2/c18-11-3-6-16(14(19)8-11)24-10-12-4-5-15(21-12)17(23)22-7-1-2-13(22)9-20/h3,6,8,12-13,15,21H,1-2,4-5,7,10H2/t12-,13+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15523 ((3R, 4R)-1-(6-(3, 3-Difluoropyrrolidin-1-yl)pyrimi...) Show SMILES N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C19H20F5N5/c20-13-6-15(22)14(21)5-12(13)11-1-3-28(8-16(11)25)17-7-18(27-10-26-17)29-4-2-19(23,24)9-29/h5-7,10-11,16H,1-4,8-9,25H2/t11-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 50: 1983-7 (2007) Article DOI: 10.1021/jm061436d BindingDB Entry DOI: 10.7270/Q2VQ30XV
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15494 (3-{6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyr...) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C21H17F3N4O2/c22-15-6-17(24)16(23)5-13(15)14-8-28(9-18(14)25)20-7-19(26-10-27-20)11-2-1-3-12(4-11)21(29)30/h1-7,10,14,18H,8-9,25H2,(H,29,30)/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 2005-12 (2007) Article DOI: 10.1016/j.bmcl.2007.01.026 BindingDB Entry DOI: 10.7270/Q20G3HCQ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM13792 (2-{[2-(3-aminopiperidin-1-yl)-5-methyl-4,6-dioxo-1...) Show SMILES CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2C1=O Show InChI InChI=1S/C19H20N6O2/c1-23-17(26)15-16(18(23)27)25(10-13-6-3-2-5-12(13)9-20)19(22-15)24-8-4-7-14(21)11-24/h2-3,5-6,14H,4,7-8,10-11,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 16: 6226-30 (2006) Article DOI: 10.1016/j.bmcl.2006.09.024 BindingDB Entry DOI: 10.7270/Q2MP51H4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM191 ((5R,6R)-1,2,4,5-tetrabenzyl-6-hydroxy-1,2,4-triaze...) Show SMILES O[C@@H]1CN(Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C32H33N3O2/c36-31-25-33(22-27-15-7-2-8-16-27)35(24-29-19-11-4-12-20-29)32(37)34(23-28-17-9-3-10-18-28)30(31)21-26-13-5-1-6-14-26/h1-20,30-31,36H,21-25H2/t30-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-50.5	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50202094 (CHEMBL375341 | N-(5-hydroxy-adamantan-2-yl)-2-(3-t...) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC[C@@H](C1)C(F)(F)F)C(C3)C2 |r,wU:7.8,wD:1.0,15.18,TLB:4:3:23:6.5.7,4:5:2.3.22:23,THB:7:5:2:22.21.23,7:21:2:6.4.5,8:7:2.3.22:23,(11.97,-27.52,;13.48,-28.24,;12.23,-29.46,;13.75,-29.11,;15.13,-29.73,;16.2,-28.5,;14.79,-28.79,;16.28,-26.98,;17.6,-26.18,;18.94,-26.93,;18.97,-28.47,;20.23,-26.07,;21.58,-26.81,;22.97,-26.15,;24.03,-27.27,;23.29,-28.62,;21.78,-28.33,;23.95,-30.01,;24.71,-31.34,;22.59,-30.72,;25.32,-29.31,;14.91,-26.34,;13.82,-27.52,;13.54,-26.75,)| Show InChI InChI=1S/C17H25F3N2O2/c18-17(19,20)13-1-2-22(8-13)9-14(23)21-15-11-3-10-4-12(15)7-16(24,5-10)6-11/h10-13,15,24H,1-9H2,(H,21,23)/t10?,11?,12?,13-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in E. coli by SPA				J Med Chem 50: 149-64 (2007) Article DOI: 10.1021/jm0609364 BindingDB Entry DOI: 10.7270/Q2Z60NQN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11097 (2-cyanopyrrolidine 21ad | 4-{[(2R,5S)-5-{[(2S)-2-c...) Show SMILES CC(C)c1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C(O)=O |r| Show InChI InChI=1S/C21H27N3O4/c1-13(2)17-10-14(21(26)27)5-8-19(17)28-12-15-6-7-18(23-15)20(25)24-9-3-4-16(24)11-22/h5,8,10,13,15-16,18,23H,3-4,6-7,9,12H2,1-2H3,(H,26,27)/t15-,16+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11645 (2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...) Show SMILES Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 16: 6226-30 (2006) Article DOI: 10.1016/j.bmcl.2006.09.024 BindingDB Entry DOI: 10.7270/Q2MP51H4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM15908 (Aminopyridine-Based Inhibitor 6o | N-(4-Amino-5-cy...) Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N Show InChI InChI=1S/C18H20N4O4/c1-4-26-18-13(10-19)14(20)9-16(22-18)21-17(23)8-11-7-12(24-2)5-6-15(11)25-3/h5-7,9H,4,8H2,1-3H3,(H3,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...				J Med Chem 49: 3563-80 (2006) Article DOI: 10.1021/jm060199b BindingDB Entry DOI: 10.7270/Q2P26WDX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM13792 (2-{[2-(3-aminopiperidin-1-yl)-5-methyl-4,6-dioxo-1...) Show SMILES CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2C1=O Show InChI InChI=1S/C19H20N6O2/c1-23-17(26)15-16(18(23)27)25(10-13-6-3-2-5-12(13)9-20)19(22-15)24-8-4-7-14(21)11-24/h2-3,5-6,14H,4,7-8,10-11,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 16: 6226-30 (2006) Article DOI: 10.1016/j.bmcl.2006.09.024 BindingDB Entry DOI: 10.7270/Q2MP51H4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15500 ((3R,4S)-1-[4-(3-methanesulfonylphenyl)-1,3,5-triaz...) Show SMILES CS(=O)(=O)c1cccc(c1)-c1ncnc(n1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H18F3N5O2S/c1-31(29,30)12-4-2-3-11(5-12)19-25-10-26-20(27-19)28-8-14(18(24)9-28)13-6-16(22)17(23)7-15(13)21/h2-7,10,14,18H,8-9,24H2,1H3/t14-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 2005-12 (2007) Article DOI: 10.1016/j.bmcl.2007.01.026 BindingDB Entry DOI: 10.7270/Q20G3HCQ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15520 ((3R, 4R)-1-(6-(pyrrolidin-1-yl)pyrimidin-4-yl)-4-(...) Show SMILES N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CCCC1 |r| Show InChI InChI=1S/C19H22F3N5/c20-14-8-16(22)15(21)7-13(14)12-3-6-27(10-17(12)23)19-9-18(24-11-25-19)26-4-1-2-5-26/h7-9,11-12,17H,1-6,10,23H2/t12-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 50: 1983-7 (2007) Article DOI: 10.1021/jm061436d BindingDB Entry DOI: 10.7270/Q2VQ30XV
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15524 ((3R)-1-{6-[(3R,4R)-3-amino-4-(2,4,5-trifluoropheny...) Show SMILES N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C19H22F3N5O/c20-14-6-16(22)15(21)5-13(14)12-2-4-27(9-17(12)23)19-7-18(24-10-25-19)26-3-1-11(28)8-26/h5-7,10-12,17,28H,1-4,8-9,23H2/t11-,12-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 50: 1983-7 (2007) Article DOI: 10.1021/jm061436d BindingDB Entry DOI: 10.7270/Q2VQ30XV
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11092 ((2S)-1-{[(2S,5R)-5-[(naphthalen-1-yloxy)methyl]pyr...) Show SMILES O=C([C@@H]1CC[C@H](COc2cccc3ccccc23)N1)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C21H23N3O2/c22-13-17-7-4-12-24(17)21(25)19-11-10-16(23-19)14-26-20-9-3-6-15-5-1-2-8-18(15)20/h1-3,5-6,8-9,16-17,19,23H,4,7,10-12,14H2/t16-,17+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11091 ((2S)-1-{[(2S,5R)-5-[(2H-1,3-benzodioxol-5-yloxy)me...) Show SMILES O=C([C@@H]1CC[C@H](COc2ccc3OCOc3c2)N1)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H21N3O4/c19-9-13-2-1-7-21(13)18(22)15-5-3-12(20-15)10-23-14-4-6-16-17(8-14)25-11-24-16/h4,6,8,12-13,15,20H,1-3,5,7,10-11H2/t12-,13+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM15939 (Aminopyridine-Based Inhibitor 6s | N-(4-amino-5-cy...) Show SMILES CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1C#N Show InChI InChI=1S/C19H22N4O6S/c1-5-29-19-12(10-20)13(21)8-17(23-19)22-18(24)7-11-6-15(28-3)16(30(4,25)26)9-14(11)27-2/h6,8-9H,5,7H2,1-4H3,(H3,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counte...				J Med Chem 49: 3563-80 (2006) Article DOI: 10.1021/jm060199b BindingDB Entry DOI: 10.7270/Q2P26WDX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15525 ((3R, 4R)-1-(6-(2-(Trifluoromethyl)-5,6-dihydroimid...) Show SMILES N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CCn2cc(nc2C1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F6N7/c23-14-6-16(25)15(24)5-13(14)12-1-2-33(8-17(12)29)19-7-20(31-11-30-19)35-4-3-34-9-18(22(26,27)28)32-21(34)10-35/h5-7,9,11-12,17H,1-4,8,10,29H2/t12-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 50: 1983-7 (2007) Article DOI: 10.1021/jm061436d BindingDB Entry DOI: 10.7270/Q2VQ30XV
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Rattus norvegicus (rat))	BDBM50202094 (CHEMBL375341 | N-(5-hydroxy-adamantan-2-yl)-2-(3-t...) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CC[C@@H](C1)C(F)(F)F)C(C3)C2 |r,wU:7.8,wD:1.0,15.18,TLB:4:3:23:6.5.7,4:5:2.3.22:23,THB:7:5:2:22.21.23,7:21:2:6.4.5,8:7:2.3.22:23,(11.97,-27.52,;13.48,-28.24,;12.23,-29.46,;13.75,-29.11,;15.13,-29.73,;16.2,-28.5,;14.79,-28.79,;16.28,-26.98,;17.6,-26.18,;18.94,-26.93,;18.97,-28.47,;20.23,-26.07,;21.58,-26.81,;22.97,-26.15,;24.03,-27.27,;23.29,-28.62,;21.78,-28.33,;23.95,-30.01,;24.71,-31.34,;22.59,-30.72,;25.32,-29.31,;14.91,-26.34,;13.82,-27.52,;13.54,-26.75,)| Show InChI InChI=1S/C17H25F3N2O2/c18-17(19,20)13-1-2-22(8-13)9-14(23)21-15-11-3-10-4-12(15)7-16(24,5-10)6-11/h10-13,15,24H,1-9H2,(H,21,23)/t10?,11?,12?,13-,15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against rat 11beta-HSD1				J Med Chem 50: 149-64 (2007) Article DOI: 10.1021/jm0609364 BindingDB Entry DOI: 10.7270/Q2Z60NQN
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 5276 total )  |  Next  |  Last  >>

Jump to: