Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'schaefer' and Initial = 'c'   

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))	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 (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))	BDBM15497 ((3R,4S)-1-{6-[3-(morpholine-4-sulfonyl)phenyl]pyri...) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)S(=O)(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H24F3N5O3S/c25-19-10-21(27)20(26)9-17(19)18-12-31(13-22(18)28)24-11-23(29-14-30-24)15-2-1-3-16(8-15)36(33,34)32-4-6-35-7-5-32/h1-3,8-11,14,18,22H,4-7,12-13,28H2/t18-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	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))	BDBM15498 ((3R,4S)-1-[6-(3-methanesulfonylphenyl)pyrimidin-4-...) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H19F3N4O2S/c1-31(29,30)13-4-2-3-12(5-13)20-8-21(27-11-26-20)28-9-15(19(25)10-28)14-6-17(23)18(24)7-16(14)22/h2-8,11,15,19H,9-10,25H2,1H3/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.40	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				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15491 ((+/-) racemate | (3R,4S)-1-[6-(thiophen-3-yl)pyrim...) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccsc1 |r| Show InChI InChI=1S/C18H15F3N4S/c19-13-4-15(21)14(20)3-11(13)12-6-25(7-16(12)22)18-5-17(23-9-24-18)10-1-2-26-8-10/h1-5,8-9,12,16H,6-7,22H2/t12-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	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))	BDBM15496 (3-{6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyr...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C23H22F3N5O/c1-30(2)23(32)14-5-3-4-13(6-14)21-9-22(29-12-28-21)31-10-16(20(27)11-31)15-7-18(25)19(26)8-17(15)24/h3-9,12,16,20H,10-11,27H2,1-2H3/t16-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	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))	BDBM15499 ((3R,4S)-1-[6-(3-fluoro-5-methanesulfonylphenyl)pyr...) Show SMILES CS(=O)(=O)c1cc(F)cc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H18F4N4O2S/c1-32(30,31)13-3-11(2-12(22)4-13)20-7-21(28-10-27-20)29-8-15(19(26)9-29)14-5-17(24)18(25)6-16(14)23/h2-7,10,15,19H,8-9,26H2,1H3/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	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))	BDBM15488 ((+/-) racemate | (3R,4S)-4-(2,4-dichlorophenyl)-1-...) Show SMILES N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1cc(ncn1)-c1ccsc1 |r| Show InChI InChI=1S/C18H16Cl2N4S/c19-12-1-2-13(15(20)5-12)14-7-24(8-16(14)21)18-6-17(22-10-23-18)11-3-4-25-9-11/h1-6,9-10,14,16H,7-8,21H2/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	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))	BDBM15491 ((+/-) racemate | (3R,4S)-1-[6-(thiophen-3-yl)pyrim...) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccsc1 |r| Show InChI InChI=1S/C18H15F3N4S/c19-13-4-15(21)14(20)3-11(13)12-6-25(7-16(12)22)18-5-17(23-9-24-18)10-1-2-26-8-10/h1-5,8-9,12,16H,6-7,22H2/t12-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	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))	BDBM15492 ((3R,4S)-1-(6-phenylpyrimidin-4-yl)-4-(2,4,5-triflu...) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccccc1 |r| Show InChI InChI=1S/C20H17F3N4/c21-15-7-17(23)16(22)6-13(15)14-9-27(10-18(14)24)20-8-19(25-11-26-20)12-4-2-1-3-5-12/h1-8,11,14,18H,9-10,24H2/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	20	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))	BDBM15489 ((+/-) racemate | (3R,4S)-4-(2-chloro-4-fluoropheny...) Show SMILES N[C@H]1CN(C[C@@H]1c1ccc(F)cc1Cl)c1cc(ncn1)-c1ccsc1 |r| Show InChI InChI=1S/C18H16ClFN4S/c19-15-5-12(20)1-2-13(15)14-7-24(8-16(14)21)18-6-17(22-10-23-18)11-3-4-25-9-11/h1-6,9-10,14,16H,7-8,21H2/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34	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))	BDBM15490 ((+/-) racemate | (3R,4S)-4-(2-chloro-4,5-difluorop...) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1Cl)c1cc(ncn1)-c1ccsc1 |r| Show InChI InChI=1S/C18H15ClF2N4S/c19-13-4-15(21)14(20)3-11(13)12-6-25(7-16(12)22)18-5-17(23-9-24-18)10-1-2-26-8-10/h1-5,8-9,12,16H,6-7,22H2/t12-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	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))	BDBM15486 ((+/-) racemate | (3R,4S)-4-(2,4-dichlorophenyl)-1-...) Show SMILES N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1nccc(n1)-c1ccsc1 |r| Show InChI InChI=1S/C18H16Cl2N4S/c19-12-1-2-13(15(20)7-12)14-8-24(9-16(14)21)18-22-5-3-17(23-18)11-4-6-25-10-11/h1-7,10,14,16H,8-9,21H2/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	76	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))	BDBM15495 (4-{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)-c1ccc(cc1)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)11-1-3-12(4-2-11)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	PC cid PC sid UniChem Similars	Article PubMed	85	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))	BDBM15485 ((+/-) racemate | (3R,4S)-4-(2,4-dichlorophenyl)-1-...) Show SMILES N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1nccc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C20H18Cl2N4/c21-14-6-7-15(17(22)10-14)16-11-26(12-18(16)23)20-24-9-8-19(25-20)13-4-2-1-3-5-13/h1-10,16,18H,11-12,23H2/t16-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	140	-38.7	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 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))	BDBM15476 ((+/-) racemate | (3R,4S)-3-amino-4-(2,4-dichloroph...) Show SMILES N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)NCc1cccc(F)c1 |r| Show InChI InChI=1S/C18H18Cl2FN3O/c19-12-4-5-14(16(20)7-12)15-9-24(10-17(15)22)18(25)23-8-11-2-1-3-13(21)6-11/h1-7,15,17H,8-10,22H2,(H,23,25)/t15-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	-38.0	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 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))	BDBM15487 ((+/-) racemate | (3R,4S)-4-(2,4-dichlorophenyl)-1-...) Show SMILES N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1ccnc(n1)-c1ccsc1 |r| Show InChI InChI=1S/C18H16Cl2N4S/c19-12-1-2-13(15(20)7-12)14-8-24(9-16(14)21)17-3-5-22-18(23-17)11-4-6-25-10-11/h1-7,10,14,16H,8-9,21H2/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	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))	BDBM15483 ((+/-) racemate | (3R,4S)-4-(2,4-dichlorophenyl)-1-...) Show SMILES N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1ncccn1 |r| Show InChI InChI=1S/C14H14Cl2N4/c15-9-2-3-10(12(16)6-9)11-7-20(8-13(11)17)14-18-4-1-5-19-14/h1-6,11,13H,7-8,17H2/t11-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	210	-37.7	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 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))	BDBM15478 ((+/-) racemate | (3R,4S)-3-amino-4-(2,4-dichloroph...) Show SMILES COc1cccc(CN(C)C(=O)N2C[C@H](N)[C@H](C2)c2ccc(Cl)cc2Cl)c1 |r| Show InChI InChI=1S/C20H23Cl2N3O2/c1-24(10-13-4-3-5-15(8-13)27-2)20(26)25-11-17(19(23)12-25)16-7-6-14(21)9-18(16)22/h3-9,17,19H,10-12,23H2,1-2H3/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	220	-37.6	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 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))	BDBM15480 ((+/-) racemate | (6-methylpyridin-2-yl)methyl (3R,...) Show SMILES Cc1cccc(COC(=O)N2C[C@H](N)[C@H](C2)c2ccc(Cl)cc2Cl)n1 |r| Show InChI InChI=1S/C18H19Cl2N3O2/c1-11-3-2-4-13(22-11)10-25-18(24)23-8-15(17(21)9-23)14-6-5-12(19)7-16(14)20/h2-7,15,17H,8-10,21H2,1H3/t15-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	-37.4	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 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))	BDBM15475 ((+/-) racemate | (3R,4S)-3-amino-4-(2,4-dichloroph...) Show SMILES CCNC(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C13H17Cl2N3O/c1-2-17-13(19)18-6-10(12(16)7-18)9-4-3-8(14)5-11(9)15/h3-5,10,12H,2,6-7,16H2,1H3,(H,17,19)/t10-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	280	-37.0	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 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))	BDBM15484 ((+/-) racemate | (3R,4S)-4-(2,4-dichlorophenyl)-1-...) Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C21H20Cl2N4O/c1-28-16-5-2-13(3-6-16)14-9-25-21(26-10-14)27-11-18(20(24)12-27)17-7-4-15(22)8-19(17)23/h2-10,18,20H,11-12,24H2,1H3/t18-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	430	-36.0	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 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))	BDBM15479 ((+/-) racemate | Pyrrolidine-constrained phenethyl...) Show SMILES CCOC(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C13H16Cl2N2O2/c1-2-19-13(18)17-6-10(12(16)7-17)9-4-3-8(14)5-11(9)15/h3-5,10,12H,2,6-7,16H2,1H3/t10-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	-35.7	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 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))	BDBM15477 ((+/-) racemate | (3R,4S)-3-amino-4-(2,4-dichloroph...) Show SMILES CCN(C)C(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C14H19Cl2N3O/c1-3-18(2)14(20)19-7-11(13(17)8-19)10-5-4-9(15)6-12(10)16/h4-6,11,13H,3,7-8,17H2,1-2H3/t11-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	610	-35.1	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 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))	BDBM15482 ((+/-) racemate | (3R,4S)-4-(2,4-dichlorophenyl)-1-...) Show SMILES N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1ccccn1 |r| Show InChI InChI=1S/C15H15Cl2N3/c16-10-4-5-11(13(17)7-10)12-8-20(9-14(12)18)15-3-1-2-6-19-15/h1-7,12,14H,8-9,18H2/t12-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	790	-34.5	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 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))	BDBM15473 ((+/-) racemate | 1-[(3R,4S)-3-amino-4-(2,4-dichlor...) Show SMILES CC(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C12H14Cl2N2O/c1-7(17)16-5-10(12(15)6-16)9-3-2-8(13)4-11(9)14/h2-4,10,12H,5-6,15H2,1H3/t10-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+3	-31.5	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 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))	BDBM15481 ((+/-) racemate | (3R,4S)-4-(2,4-dichlorophenyl)-1-...) Show SMILES N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C16H16Cl2N2/c17-11-6-7-13(15(18)8-11)14-9-20(10-16(14)19)12-4-2-1-3-5-12/h1-8,14,16H,9-10,19H2/t14-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80E+3	-31.4	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 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 9 (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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+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...				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 8 (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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+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...				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))	BDBM15472 ((+/-) racemate | (3R,4S)-1-benzyl-4-(2,4-dichlorop...) Show SMILES N[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C17H18Cl2N2/c18-13-6-7-14(16(19)8-13)15-10-21(11-17(15)20)9-12-4-2-1-3-5-12/h1-8,15,17H,9-11,20H2/t15-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+3	-30.9	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 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 8 (Homo sapiens (Human))	BDBM15497 ((3R,4S)-1-{6-[3-(morpholine-4-sulfonyl)phenyl]pyri...) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)S(=O)(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H24F3N5O3S/c25-19-10-21(27)20(26)9-17(19)18-12-31(13-22(18)28)24-11-23(29-14-30-24)15-2-1-3-16(8-15)36(33,34)32-4-6-35-7-5-32/h1-3,8-11,14,18,22H,4-7,12-13,28H2/t18-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.32E+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...				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 8 (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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.35E+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...				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 8 (Homo sapiens (Human))	BDBM15498 ((3R,4S)-1-[6-(3-methanesulfonylphenyl)pyrimidin-4-...) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H19F3N4O2S/c1-31(29,30)13-4-2-3-12(5-13)20-8-21(27-11-26-20)28-9-15(19(25)10-28)14-6-17(23)18(24)7-16(14)22/h2-8,11,15,19H,9-10,25H2,1H3/t15-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	6.44E+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...				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 9 (Homo sapiens (Human))	BDBM15498 ((3R,4S)-1-[6-(3-methanesulfonylphenyl)pyrimidin-4-...) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H19F3N4O2S/c1-31(29,30)13-4-2-3-12(5-13)20-8-21(27-11-26-20)28-9-15(19(25)10-28)14-6-17(23)18(24)7-16(14)22/h2-8,11,15,19H,9-10,25H2,1H3/t15-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.09E+4	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 9 (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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.11E+4	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))	BDBM15474 ((+/-) racemate | (3R,4S)-4-(2,4-dichlorophenyl)-1-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C17H18Cl2N2O2S/c1-11-2-5-13(6-3-11)24(22,23)21-9-15(17(20)10-21)14-7-4-12(18)8-16(14)19/h2-8,15,17H,9-10,20H2,1H3/t15-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+4	-27.6	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 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 9 (Homo sapiens (Human))	BDBM15497 ((3R,4S)-1-{6-[3-(morpholine-4-sulfonyl)phenyl]pyri...) Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)S(=O)(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H24F3N5O3S/c25-19-10-21(27)20(26)9-17(19)18-12-31(13-22(18)28)24-11-23(29-14-30-24)15-2-1-3-16(8-15)36(33,34)32-4-6-35-7-5-32/h1-3,8-11,14,18,22H,4-7,12-13,28H2/t18-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.75E+4	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
3-oxoacyl-[acyl-carrier-protein] synthase 1 [C171Q] (Mycobacterium tuberculosis)	BDBM214777 (TLM18) Show SMILES C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCCCN=[N+]=[N-])=C1O |r,c:17| Show InChI InChI=1S/C14H19N3O2S/c1-4-10(2)9-14(3)12(18)11(13(19)20-14)7-5-6-8-16-17-15/h4,9,18H,1,5-8H2,2-3H3/b10-9+/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	3.84E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
University of Wuerzburg					Assay Description Binding of TLM18 to wild-type and mutant KasA was quantified by monitoring changes in the intrinsic tryptophan fluorescence of the enzyme at waveleng...				J Biol Chem 288: 34190-204 (2013) Article DOI: 10.1074/jbc.M113.511436 BindingDB Entry DOI: 10.7270/Q22F7M8D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50201303 (1-(4-(4-amino-7-(pyrimidin-5-yl)thieno[3,2-c]pyrid...) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cncnc2)c1 Show InChI InChI=1S/C25H20N6OS/c1-15-3-2-4-19(9-15)31-25(32)30-18-7-5-16(6-8-18)21-13-33-23-20(12-29-24(26)22(21)23)17-10-27-14-28-11-17/h2-14H,1H3,(H2,26,29)(H2,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human KDR phosphorylation in NIH3T3 cells				Bioorg Med Chem Lett 17: 1246-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.015 BindingDB Entry DOI: 10.7270/Q28K78RS
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50201330 (1-(4-(4-amino-7-(pyridin-4-yl)thieno[3,2-c]pyridin...) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccncc2)c1 Show InChI InChI=1S/C26H21N5OS/c1-16-3-2-4-20(13-16)31-26(32)30-19-7-5-17(6-8-19)22-15-33-24-21(14-29-25(27)23(22)24)18-9-11-28-12-10-18/h2-15H,1H3,(H2,27,29)(H2,30,31,32)	PDB MMDB 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	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human KDR phosphorylation in NIH3T3 cells				Bioorg Med Chem Lett 17: 1246-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.015 BindingDB Entry DOI: 10.7270/Q28K78RS
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50201323 (1-(4-(4-amino-7-(pyridin-3-yl)thieno[3,2-c]pyridin...) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cccnc2)c1 Show InChI InChI=1S/C26H21N5OS/c1-16-4-2-6-20(12-16)31-26(32)30-19-9-7-17(8-10-19)22-15-33-24-21(14-29-25(27)23(22)24)18-5-3-11-28-13-18/h2-15H,1H3,(H2,27,29)(H2,30,31,32)	PDB MMDB 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	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human KDR phosphorylation in NIH3T3 cells				Bioorg Med Chem Lett 17: 1246-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.015 BindingDB Entry DOI: 10.7270/Q28K78RS
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50201330 (1-(4-(4-amino-7-(pyridin-4-yl)thieno[3,2-c]pyridin...) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccncc2)c1 Show InChI InChI=1S/C26H21N5OS/c1-16-3-2-4-20(13-16)31-26(32)30-19-7-5-17(6-8-19)22-15-33-24-21(14-29-25(27)23(22)24)18-9-11-28-12-10-18/h2-15H,1H3,(H2,27,29)(H2,30,31,32)	PDB MMDB 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	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 17: 1246-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.015 BindingDB Entry DOI: 10.7270/Q28K78RS
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50201303 (1-(4-(4-amino-7-(pyrimidin-5-yl)thieno[3,2-c]pyrid...) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cncnc2)c1 Show InChI InChI=1S/C25H20N6OS/c1-15-3-2-4-19(9-15)31-25(32)30-18-7-5-16(6-8-18)21-13-33-23-20(12-29-24(26)22(21)23)17-10-27-14-28-11-17/h2-14H,1H3,(H2,26,29)(H2,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 17: 1246-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.015 BindingDB Entry DOI: 10.7270/Q28K78RS
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50201307 (1-(4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-m...) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ccnc(N)c23)c1 Show InChI InChI=1S/C21H18N4OS/c1-13-3-2-4-16(11-13)25-21(26)24-15-7-5-14(6-8-15)17-12-27-18-9-10-23-20(22)19(17)18/h2-12H,1H3,(H2,22,23)(H2,24,25,26)	PDB MMDB 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	9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 17: 1246-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.015 BindingDB Entry DOI: 10.7270/Q28K78RS
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50201323 (1-(4-(4-amino-7-(pyridin-3-yl)thieno[3,2-c]pyridin...) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cccnc2)c1 Show InChI InChI=1S/C26H21N5OS/c1-16-4-2-6-20(12-16)31-26(32)30-19-9-7-17(8-10-19)22-15-33-24-21(14-29-25(27)23(22)24)18-5-3-11-28-13-18/h2-15H,1H3,(H2,27,29)(H2,30,31,32)	PDB MMDB 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	9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 17: 1246-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.015 BindingDB Entry DOI: 10.7270/Q28K78RS
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50201314 (1-(4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-(...) Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3ccnc(N)c23)cc1C Show InChI InChI=1S/C22H20N4OS/c1-13-3-6-17(11-14(13)2)26-22(27)25-16-7-4-15(5-8-16)18-12-28-19-9-10-24-21(23)20(18)19/h3-12H,1-2H3,(H2,23,24)(H2,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 17: 1246-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.015 BindingDB Entry DOI: 10.7270/Q28K78RS
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50201327 (1-(4-(4-amino-7-(4-hydroxyphenyl)thieno[3,2-c]pyri...) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccc(O)cc2)c1 Show InChI InChI=1S/C27H22N4O2S/c1-16-3-2-4-20(13-16)31-27(33)30-19-9-5-18(6-10-19)23-15-34-25-22(14-29-26(28)24(23)25)17-7-11-21(32)12-8-17/h2-15,32H,1H3,(H2,28,29)(H2,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 17: 1246-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.015 BindingDB Entry DOI: 10.7270/Q28K78RS
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50201319 (1-(4-(4-amino-7-(3-(methylcarbamoyl)phenyl)thieno[...) Show SMILES CNC(=O)c1cccc(c1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C29H25N5O2S/c1-17-5-3-8-22(13-17)34-29(36)33-21-11-9-18(10-12-21)24-16-37-26-23(15-32-27(30)25(24)26)19-6-4-7-20(14-19)28(35)31-2/h3-16H,1-2H3,(H2,30,32)(H,31,35)(H2,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 17: 1246-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.015 BindingDB Entry DOI: 10.7270/Q28K78RS
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50201302 (1-(4-(4-amino-7-phenylthieno[3,2-c]pyridin-3-yl)ph...) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccccc2)c1 Show InChI InChI=1S/C27H22N4OS/c1-17-6-5-9-21(14-17)31-27(32)30-20-12-10-19(11-13-20)23-16-33-25-22(15-29-26(28)24(23)25)18-7-3-2-4-8-18/h2-16H,1H3,(H2,28,29)(H2,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 17: 1246-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.015 BindingDB Entry DOI: 10.7270/Q28K78RS
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50201318 (1-(4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-(...) Show SMILES Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C20H15FN4OS/c21-13-2-1-3-15(10-13)25-20(26)24-14-6-4-12(5-7-14)16-11-27-17-8-9-23-19(22)18(16)17/h1-11H,(H2,22,23)(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 17: 1246-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.015 BindingDB Entry DOI: 10.7270/Q28K78RS
					More data for this Ligand-Target Pair

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